bluuebunny/crossref_metadata_2025 huggingface dataset:
Over 90 endangered fish and invertebrates are caught in industrial fisheries
Authors: Roberson Leslie A. , Watson Reg A. , Klein Carissa J.
Published: September 2020

Industrial-scale harvest of species at risk of extinction is controversial and usually highly regulated on land and for charismatic marine animals (e.g. whales). In contrast, threatened marine fish species can be legally caught in industrial fisheries. To determine the magnitude and extent of this problem, we analyze global fisheries catch and import data and find reported catch records of 91 globally threatened species. Thirteen of the species are traded internationally and predominantly consumed in European nations. Targeted industrial fishing for 73 of the threatened species accounts for nearly all (99%) of the threatened species catch volume and value. Our results are a conservative estimate of threatened species catch and trade because we only consider species-level data, excluding group records such as ‘sharks and rays.’ Given the development of new fisheries monitoring technologies and the current push for stronger international mechanisms for biodiversity management, industrial fishing of threatened fish and invertebrates should no longer be neglected in conservation and sustainability commitments.
The shared frameshift mutation landscape of microsatellite-unstable cancers suggests immunoediting during tumor evolution
Authors: Ballhausen Alexej , Przybilla Moritz Jakob , Jendrusch Michael , Haupt Saskia , Pfaffendorf Elisabeth , Seidler Florian , Witt Johannes , Hernandez Sanchez Alejandro , Urban Katharina , Draxlbauer Markus , Krausert Sonja , Ahadova Aysel , Kalteis Martin Simon , Pfuderer Pauline L. , Heid Daniel , Stichel Damian , Gebert Johannes , Bonsack Maria , Schott Sarah , Bläker Hendrik , Seppälä Toni , Mecklin Jukka-Pekka , Ten Broeke Sanne , Nielsen Maartje , Heuveline Vincent , Krzykalla Julia , Benner Axel , Riemer Angelika Beate , von Knebel Doeberitz Magnus , Kloor Matthias
Published: September 2020

The immune system can recognize and attack cancer cells, especially those with a high load of mutation-induced neoantigens. Such neoantigens are abundant in DNA mismatch repair (MMR)-deficient, microsatellite-unstable (MSI) cancers. MMR deficiency leads to insertion/deletion (indel) mutations at coding microsatellites (cMS) and to neoantigen-inducing translational frameshifts. Here, we develop a tool to quantify frameshift mutations in MSI colorectal and endometrial cancer. Our results show that frameshift mutation frequency is negatively correlated to the predicted immunogenicity of the resulting peptides, suggesting counterselection of cell clones with highly immunogenic frameshift peptides. This correlation is absent in tumors with Beta-2-microglobulin mutations, and HLA-A*02:01 status is related to cMS mutation patterns. Importantly, certain outlier mutations are common in MSI cancers despite being related to frameshift peptides with functionally confirmed immunogenicity, suggesting a possible driver role during MSI tumor evolution. Neoantigens resulting from shared mutations represent promising vaccine candidates for prevention of MSI cancers.
Chiral gold nanoparticles enantioselectively rescue memory deficits in a mouse model of Alzheimer’s disease
Authors: Hou Ke , Zhao Jing , Wang Hui , Li Bin , Li Kexin , Shi Xinghua , Wan Kaiwei , Ai Jing , Lv Jiawei , Wang Dawei , Huang Qunxing , Wang Huayi , Cao Qin , Liu Shaoqin , Tang Zhiyong
Published: September 2020

Preventing aggregation of amyloid beta (Aβ) peptides is a promising strategy for the treatment of Alzheimer’s disease (AD), and gold nanoparticles have previously been explored as a potential anti-Aβ therapeutics. Here we design and prepare 3.3 nm L- and D-glutathione stabilized gold nanoparticles (denoted as L3.3 and D3.3, respectively). Both chiral nanoparticles are able to inhibit aggregation of Aβ42 and cross the blood-brain barrier (BBB) following intravenous administration without noticeable toxicity. D3.3 possesses a larger binding affinity to Aβ42 and higher brain biodistribution compared with its enantiomer L3.3, giving rise to stronger inhibition of Aβ42 fibrillation and better rescue of behavioral impairments in AD model mice. This conjugation of a small nanoparticle with chiral recognition moiety provides a potential therapeutic approach for AD.
Cryo-EM structure of the varicella-zoster virus A-capsid
Authors: Sun Junqing , Liu Congcong , Peng Ruchao , Zhang Fu-Kun , Tong Zhou , Liu Sheng , Shi Yi , Zhao Zhennan , Zeng Wen-Bo , Gao George Fu , Shen Hong-Jie , Yang Xiaoming , Luo Minhua , Qi Jianxun , Wang Peiyi
Published: September 2020

Varicella-zoster virus (VZV), a member of the Alphaherpesvirinae subfamily, causes severe diseases in humans of all ages. The viral capsids play critical roles in herpesvirus infection, making them potential antiviral targets. Here, we present the 3.7-Å-resolution structure of the VZV A-capsid and define the molecular determinants underpinning the assembly of this complicated viral machinery. Overall, the VZV capsid has a similar architecture to that of other known herpesviruses. The major capsid protein (MCP) assembles into pentons and hexons, forming extensive intra- and inter-capsomer interaction networks that are further secured by the small capsid protein (SCP) and the heterotriplex. The structure reveals a pocket beneath the floor of MCP that could potentially be targeted by antiviral inhibitors. In addition, we identified two alphaherpesvirus-specific structural features in SCP and Tri1 proteins. These observations highlight the divergence of different herpesviruses and provide an important basis for developing antiviral drugs.
Ring-opening functionalizations of unstrained cyclic amines enabled by difluorocarbene transfer
Authors: Kim Youyoung , Heo Joon , Kim Dongwook , Chang Sukbok , Seo Sangwon
Published: September 2020

Chemical synthesis based on the skeletal variation has been prolifically utilized as an attractive approach for modification of molecular properties. Given the ubiquity of unstrained cyclic amines, the ability to directly alter such motifs would grant an efficient platform to access unique chemical space. Here, we report a highly efficient and practical strategy that enables the selective ring-opening functionalization of unstrained cyclic amines. The use of difluorocarbene leads to a wide variety of multifaceted acyclic architectures, which can be further diversified to a range of distinctive homologative cyclic scaffolds. The virtue of this deconstructive strategy is demonstrated by successful modification of several natural products and pharmaceutical analogues.
IRES-targeting small molecule inhibits enterovirus 71 replication via allosteric stabilization of a ternary complex
Authors: Davila-Calderon Jesse , Patwardhan Neeraj N. , Chiu Liang-Yuan , Sugarman Andrew , Cai Zhengguo , Penutmutchu Srinivasa R. , Li Mei-Ling , Brewer Gary , Hargrove Amanda E. , Tolbert Blanton S.
Published: September 2020

Enterovirus 71 (EV71) poses serious threats to human health, particularly in Southeast Asia, and no drugs or vaccines are available. Previous work identified the stem loop II structure of the EV71 internal ribosomal entry site as vital to viral translation and a potential target. After screening an RNA-biased library using a peptide-displacement assay, we identify DMA-135 as a dose-dependent inhibitor of viral translation and replication with no significant toxicity in cell-based studies. Structural, biophysical, and biochemical characterization support an allosteric mechanism in which DMA-135 induces a conformational change in the RNA structure that stabilizes a ternary complex with the AUF1 protein, thus repressing translation. This mechanism is supported by pull-down experiments in cell culture. These detailed studies establish enterovirus RNA structures as promising drug targets while revealing an approach and mechanism of action that should be broadly applicable to functional RNA targeting.
Absolute configuration and host-guest binding of chiral porphyrin-cages by a combined chiroptical and theoretical approach
Authors: Ouyang Jiangkun , Swartjes Anne , Geerts Marc , Gilissen Pieter J. , Wang Danni , Teeuwen Paula C. P. , Tinnemans Paul , Vanthuyne Nicolas , Chentouf Sara , Rutjes Floris P. J. T. , Naubron Jean-Valère , Crassous Jeanne , Elemans Johannes A. A. W. , Nolte Roeland J. M.
Published: September 2020

Porphyrin cage-compounds are used as biomimetic models and substrate-selective catalysts in supramolecular chemistry. In this work we present the resolution of planar-chiral porphyrin cages and the determination of their absolute configuration by vibrational circular dichroism in combination with density functional theory calculations. The chiral porphyrin-cages form complexes with achiral and chiral viologen-guests and upon binding one of the axial enantiomorphs of the guest is bound selectively, as is indicated by induced-electronic-dichroism-spectra in combination with calculations. This host-guest binding also leads to unusual enhanced vibrational circular dichroism, which is the result of a combination of phenomena, such as rigidification of the host and guest structures, charge transfer, and coupling of specific vibration modes of the host and guest. The results offer insights in how the porphyrin cage-compounds may be used to construct a future molecular Turing machine that can write chiral information onto polymer chains.
Author Correction: Fast and multiplexed superresolution imaging with DNA-PAINT-ERS
Authors: Civitci Fehmi , Shangguan Julia , Zheng Ting , Tao Kai , Rames Matthew , Kenison John , Zhang Ying , Wu Lei , Phelps Carey , Esener Sadik , Nan Xiaolin
Published: September 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Next-generation visitation models using social media to estimate recreation on public lands
Authors: Wood Spencer A. , Winder Samantha G. , Lia Emilia H. , White Eric M. , Crowley Christian S. L. , Milnor Adam A.
Published: September 2020

Outdoor and nature-based recreation provides countless social benefits, yet public land managers often lack information on the spatial and temporal extent of recreation activities. Social media is a promising source of data to fill information gaps because the amount of recreational use is positively correlated with social media activity. However, despite the implication that these correlations could be employed to accurately estimate visitation, there are no known transferable models parameterized for use with multiple social media data sources. This study tackles these issues by examining the relative value of multiple sources of social media in models that estimate visitation at unmonitored sites and times across multiple destinations. Using a novel dataset of over 30,000 social media posts and 286,000 observed visits from two regions in the United States, we compare multiple competing statistical models for estimating visitation. We find social media data substantially improve visitor estimates at unmonitored sites, even when a model is parameterized with data from another region. Visitation estimates are further improved when models are parameterized with on-site counts. These findings indicate that while social media do not fully substitute for on-site data, they are a powerful component of recreation research and visitor management.
Deletion of morpholino binding sites (DeMOBS) to assess specificity of morphant phenotypes
Authors: Cunningham Carlee MacPherson , Bellipanni Gianfranco , Habas Raymond , Balciunas Darius
Published: September 2020

Two complimentary approaches are widely used to study gene function in zebrafish: induction of genetic mutations, usually using targeted nucleases such as CRISPR/Cas9, and suppression of gene expression, typically using Morpholino oligomers. Neither method is perfect. Morpholinos (MOs) sometimes produce off-target or toxicity-related effects that can be mistaken for true phenotypes. Conversely, genetic mutants can be subject to compensation, or may fail to yield a null phenotype due to leakiness (e.g. use of cryptic splice sites or downstream AUGs). When discrepancy between mutant and morpholino-induced (morphant) phenotypes is observed, experimental validation of such phenotypes becomes very labor intensive. We have developed a simple genetic method to differentiate between genuine morphant phenotypes and those produced due to off-target effects. We speculated that indels within 5′ untranslated regions would be unlikely to have a significant negative effect on gene expression. Mutations induced within a MO target site would result in a Morpholino-refractive allele thus suppressing true MO phenotypes whilst non-specific phenotypes would remain. We tested this hypothesis on one gene with an exclusively zygotic function, tbx5a, and one gene with strong maternal effect, ctnnb2. We found that indels within the Morpholino binding site are indeed able to suppress both zygotic and maternal morphant phenotypes. We also observed that the ability of such indels to suppress morpholino phenotypes does depend on the size and the location of the deletion. Nonetheless, mutating the morpholino binding sites in both maternal and zygotic genes can ascertain the specificity of morphant phenotypes.
Magma chamber evolution during the 1650 AD Kolumbo eruption provides clues about past and future volcanic activity
Authors: Konstantinou K. I.
Published: September 2020

Kolumbo submarine volcano lies 7 km NE of Santorini caldera and its last eruption which occurred in 1650 AD, caused damage and casualties to the nearby islands. Here a simple model of a chamber, containing silicic magma underlain by a smaller quantity of mafic magma, is utilised in order to understand the chamber behaviour during the 1650 AD eruption. Results show that in order to reproduce the duration (83–281 days) and the dense rock equivalent volume ($${\sim }\,2\, \hbox {km}^3$$

∼

2

km
3

) of the eruption, initial overpressure in the chamber should be around 10 MPa and the mafic magma should occupy up to 5% of the chamber volume. It is found that the time needed to inject mafic magma equal to 1–15% of the chamber volume varies between 1.4–13.7 ka, if the radius of the chamber is about 1500 m as inferred from tomographic images. These long recurrence times agree well with the small number of eruptions ($$N = 5$$

N
=
5

) within a period of > 70 ka and suggest that an eruption in the near future is unlikely. Volcanic activity at Kolumbo is probably triggered by a combination of exsolved volatiles and a small but steady influx of mafic melt in the chamber.
Maternal exercise conveys protection against NAFLD in the offspring via hepatic metabolic programming
Authors: Bae-Gartz Inga , Kasper Philipp , Großmann Nora , Breuer Saida , Janoschek Ruth , Kretschmer Tobias , Appel Sarah , Schmitz Lisa , Vohlen Christina , Quaas Alexander , Schweiger Michal R. , Grimm Christina , Fischer Axel , Ferrari Nina , Graf Christine , Frese Christian K. , Lang Sonja , Demir Münevver , Schramm Christoph , Fink Gregor , Goeser Tobias , Dötsch Jörg , Hucklenbruch-Rother Eva
Published: September 2020

Maternal exercise (ME) during pregnancy has been shown to improve metabolic health in offspring and confers protection against the development of non-alcoholic fatty liver disease (NAFLD). However, its underlying mechanism are still poorly understood, and it remains unclear whether protective effects on hepatic metabolism are already seen in the offspring early life. This study aimed at determining the effects of ME during pregnancy on offspring body composition and development of NAFLD while focusing on proteomic-based analysis of the hepatic energy metabolism during developmental organ programming in early life. Under an obesogenic high-fat diet (HFD), male offspring of exercised C57BL/6J-mouse dams were protected from body weight gain and NAFLD in adulthood (postnatal day (P) 112). This was associated with a significant activation of hepatic AMP-activated protein kinase (AMPK), peroxisome proliferator-activated receptor alpha (PPARα) and PPAR coactivator-1 alpha (PGC1α) signaling with reduced hepatic lipogenesis and increased hepatic β-oxidation at organ programming peak in early life (P21). Concomitant proteomic analysis revealed a characteristic hepatic expression pattern in offspring as a result of ME with the most prominent impact on Cholesterol 7 alpha-hydroxylase (CYP7A1). Thus, ME may offer protection against offspring HFD-induced NAFLD by shaping hepatic proteomics signature and metabolism in early life. The results highlight the potential of exercise during pregnancy for preventing the early origins of NAFLD.
ANFIS grid partition framework with difference between two sigmoidal membership functions structure for validation of nanofluid flow
Authors: Pishnamazi Mahboubeh , Babanezhad Meisam , Nakhjiri Ali Taghvaie , Rezakazemi Mashallah , Marjani Azam , Shirazian Saeed
Published: September 2020

In this study, a square cavity is modeled using Computational Fluid Dynamics (CFD) as well as artificial intelligence (AI) approach. In the square cavity, copper (Cu) nanoparticle is the nanofluid and the flow velocity characteristics in the x-direction and y-direction, and the fluid temperature inside the cavity at different times are considered as CFD outputs. CFD outputs have been assessed using one of the artificial intelligence algorithms, such as a combination of neural network and fuzzy logic (ANFIS). As in the ANFIS method, we have a non-dimension procedure in the learning step, and there is no issue in combining other characteristics of the flow and thermal distribution beside the x and y coordinates, we combine two coordinate parameters and one flow parameter. This ability of method can be considered as a meshless learning step that there is no instability of the numerical method or limitation of boundary conditions. The data were classified using the grid partition method and the MF (membership function) type was dsigmf (difference between two sigmoidal membership functions). By achieving the appropriate intelligence in the ANFIS method, output prediction was performed at the points of cavity which were not included in the learning process and were compared to the existing data (the results of the CFD method) and were validated by them. This new combination of CFD and the ANFIS method enables us to learn flow and temperature distribution throughout the domain thoroughly, and eventually predict the flow characteristics in short computational time. The results from AI in the ANFIS method were compared to the ant colony and fuzzy logic methods. The data from CFD results were inserted into the ant colony system for the training process, and we predicted the data in the fuzzy logic system. Then, we compare the data with the ANFIS method. The results indicate that the ANFIS method has a high potentiality compared to the ant colony method because the amount of R in the ANIFS system is higher than R in the ant colony method. In the ANFIS method, R is equal to 0.99, and in the ant colony method, R is equal to 0.91. This shows that the ant colony needs more time for both the prediction and training of the system. Also, comparing the pattern recognition in the two systems, we can obviously see that by using the ANFIS method, the predictions completely match the target points. But the other method cannot match the flow pattern and velocity distribution with the CFD method.
Formation of quantum dots in GaN/AlGaN FETs
Authors: Otsuka Tomohiro , Abe Takaya , Kitada Takahito , Ito Norikazu , Tanaka Taketoshi , Nakahara Ken
Published: September 2020

GaN and the heterostructures are attractive in condensed matter science and applications for electronic devices. We measure the electron transport in GaN/AlGaN field-effect transistors (FETs) at cryogenic temperature. We observe formation of quantum dots in the conduction channel near the depletion of the 2-dimensional electron gas (2DEG). Multiple quantum dots are formed in the disordered potential induced by impurities in the FET conduction channel. We also measure the gate insulator dependence of the transport properties. These results can be utilized for the development of quantum dot devices utilizing GaN/AlGaN heterostructures and evaluation of the impurities in GaN/AlGaN FET channels.
Soluble urokinase plasminogen activator receptor level in individuals of advanced age
Authors: Wlazel Rafal N. , Szwabe Katarzyna , Guligowska Agnieszka , Kostka Tomasz
Published: September 2020

Soluble urokinase plasminogen activator receptor (suPAR) is a biomarker whose clinical value has been tested in various groups of patients. The aim of the present study was to determine the suPAR level in a previously uninvestigated population of 182, generally healthy, community-dwelling seniors aged 74–89 years. In addition to suPAR level, selected laboratory parameters of heart and kidney function, lipid and C-reactive protein levels were determined. A group of 45 younger individuals aged 24–66 years was used for comparison. The seniors had higher suPAR levels than younger controls: 3.79 ng/mL (95% CI 3.64–3.96 ng/mL) vs. 3.16 ng/mL (95% CI 2.86–3.45 ng/mL). These levels increased further with advancing age, and were similar in women and men. A multiple regression model confirmed that biomarker level was related to cardiac function, renal function and inflammation, and this remained after adjusting for age. These correlation patterns were similar in older women and men.
Comparison of ultrasmall IONPs and Fe salts biocompatibility and activity in multi-cellular in vitro models
Authors: Janik-Olchawa Natalia , Drozdz Agnieszka , Ryszawy Damian , Pudełek Maciej , Planeta Karolina , Setkowicz Zuzanna , Śniegocki Maciej , Żądło Andrzej , Ostachowicz Beata , Chwiej Joanna
Published: September 2020

In the paper, the results of the first regular studies of ultra-small iron oxide nanoparticles (IONPs) toxicity in vitro were presented. The influence of PEG-coated NPs with 5 nm magnetite core on six different cell lines was examined. These were: human bronchial fibroblasts, human embryonic kidney cells (HEK293T), two glioblastoma multiforme (GBM) cell lines as well as GBM cells isolated from a brain tumor of patient. Additionally, mouse macrophages were included in the study. The influence of IONPs in three different doses (1, 5 and 25 µg Fe/ml) on the viability, proliferation and migration activity of cells was assessed. Moreover, quantifying the intracellular ROS production, we determined the level of oxidative stress in cells exposed to IONPs. In the paper, for the first time, the effect of Fe in the form of IONPs was compared with the analogical data obtained for iron salts solutions containing the same amount of Fe, on the similar oxidation state. Our results clearly showed that the influence of iron on the living cells strongly depends not only on the used cell line, dose and exposure time but also on the form in which this element was administered to the culture. Notably, nanoparticles can stimulate the proliferation of some cell lines, including glioblastoma multiforme. Compared to Fe salts, they have a stronger negative impact on the viability of the cells tested. Ultra-small NPs, also, more often positively affect cell motility which seem to differ them from the NPs with larger core diameters.
Antithymocyte globulin administration in patients with profound lymphopenia receiving a PBSC purine analog/busulfan-based conditioning regimen allograft
Authors: Jullien Maxime , Guillaume Thierry , Peterlin Pierre , Garnier Alice , Le Bourgeois Amandine , Debord Camille , Mahe Beatrice , Dubruille Viviane , Wuilleme Soraya , Blin Nicolas , Touzeau Cyrille , Gastinne Thomas , Tessoulin Benoit , Le Bris Yannick , Eveillard Marion , Duquesne Alix , Moreau Philippe , Le Gouill Steven , Bene Marie C. , Chevallier Patrice
Published: September 2020

Graft-versus host disease (GVHD) remains one of the main causes of morbidity and mortality after allogeneic hematopoietic stem cell transplantation (ASCT). Prophylactic T cell depletion via antithymocyte globulin (ATG) during ASCT conditioning is one of the standards of care for GVHD prophylaxis, although the optimal dosing strategy is still unclear. Recent studies have reported that absolute lymphocyte count at the time of ATG administration could predict survivals in ASCT from unrelated donors. Here this issue was examined in 116 patients receiving peripheral blood stem cells (PBSC) ASCT with purine analog/busulfan-based conditioning regimens between 2009 and 2019 in our department. The impact of lymphopenia at the time of ATG administration was evaluated in terms of overall survival, disease-free survival and GVHD-free/relapse-free survival. After a median follow-up of 4 years, no adverse effect of a profound lymphopenia was observed on patients’ outcome. Notably, a reduced dose of ATG in patients with profound lymphopenia did not translate into better survivals. This study indicates that ATG can be administered whatever the recipient’s lymphocyte counts in patients receiving a PBSC purine analog/busulfan-based conditioning regimen ASCT.
Preparation of a whole cell catalyst overexpressing acetohydroxyacid synthase of Thermotoga maritima and its application in the syntheses of α-hydroxyketones
Authors: Liang Yan-Fei , Yan Le-Tian , Yue Qiao , Zhao Ji-Kui , Luo Cai-Yun , Gao Feng , Li Heng , Gao Wen-Yun
Published: September 2020

The large catalytic subunit of acetohydroxyacid synthase (AHAS, EC 2.2.1.6) of Thermotoga maritima (TmcAHAS) was prepared in this study. It possesses high specific activity and excellent stability. The protein and a whole cell catalyst overexpressing the protein were applied to the preparation of α-hydroxyketones including acetoin (AC), 3-hydroxy-2-pentanone (HP), and (R)-phenylacetylcarbinol (R-PAC). The results show that AC and HP could be produced in high yields (84% and 62%, respectively), while R-PAC could be synthesized in a high yield (about 78%) with an R/S ratio of 9:1. Therefore, TmcAHAS and the whole cell catalyst overexpressing the protein could be practically useful bio-catalysts in the preparation of α-hydroxyketones including AC, HP, and R-PAC. To the best of our knowledge, this is the first time that bacterial AHAS was used as a catalyst to prepare HP with a good yield, and also the first time that TmcAHAS was employed to synthesize AC and R-PAC.
Towards developing robust solid lubricant operable in multifarious environments
Authors: Ayyagari Aditya V. , Mutyala Kalyan C. , Sumant Anirudha V.
Published: September 2020

Conventional solid lubricants such as MoS2, graphite, or diamond-like carbon films demonstrate excellent tribological performance but only in specific environments due to their inherent materials properties. This limitation prohibits using these solid lubricants in environments that change dynamically. This study presents the results of a novel solid lubricant that was developed using a combination of solution-processed 2D-molybdenum disulfide and graphene-oxide (GO) that can be deposited on to stainless steel substrates using a simple spray-coating technique and show exceptional performance in multifarious environments namely, ambient (humid) atmosphere, dry nitrogen, and vacuum. The tribological performance of the coatings was evaluated using a ball-on-disc sliding test and demonstrated an excellent wear/friction performance in all environments and coating survived even after 44 km of linear sliding. Transmission electron microscopy and Raman spectroscopy analysis of the tribolayers suggested in-operando friction-induced re-orientation of MoS2 layers that were protected by GO layers and, an absence of MoOx peaks indicate a strong resistance to intercalation with moisture and oxygen. The simplicity and robustness of the hybrid MoS2–GO solid lubricant in mitigating wear-friction behavior of steel-on-steel tribopair in a multifarious environment is a game-changing and is promising for various applications.
Author Correction: MC1R is dispensable for the proteinuria reducing and glomerular protective effect of melanocortin therapy
Authors: Qiao Yingjin , Berg Anna-Lena , Wang Pei , Ge Yan , Quan Songxia , Zhou Sijie , Wang Hai , Liu Zhangsuo , Gong Rujun
Published: September 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
DNA minor-groove binder Hoechst 33258 destabilizes base-pairing adjacent to its binding site
Authors: Zhang Xin-Xing , Brantley Shelby L. , Corcelli Steven A. , Tokmakoff Andrei
Published: September 2020

Understanding the dynamic interactions of ligands to DNA is important in DNA-based nanotechnologies. By structurally tracking the dissociation of Hoechst 33258-bound DNA (d(CGCAAATTTGCG)2) complex (H-DNA) with T-jump 2D-IR spectroscopy, the ligand is found to strongly disturb the stability of the three C:G base pairs adjacent to A:T the binding site, with the broken base pairs being more than triple at 100 ns. The strong stabilization effect of the ligand on DNA duplex makes this observation quite striking, which dramatically increases the melting temperature and dissociation time. MD simulations demonstrate an important role of hydration water and counter cations in maintaining the separation of terminal base pairs. The hydrogen bonds between the ligand and thymine carbonyls are crucial in stabilizing H-DNA, whose breaking signal appearing prior to the complete dissociation. Thermodynamic analysis informs us that H-DNA association is a concerted process, where H cooperates with DNA single strands in forming H-DNA.
Electroblotting through a tryptic membrane for LC-MS/MS analysis of proteins separated in electrophoretic gels
Authors: Bickner A. N. , Champion M. M. , Hummon A. B. , Bruening M. L.
Published: September 2020

Electroblotting through a trypsin-containing membrane simplifies extraction and digestion of proteins separated by SDS-PAGE. Analysis by LC-MS/MS identifies the extracted proteins.
Directed vertical cell migrationviabifunctionalized nanomaterials in 3D step-gradient nanocomposite hydrogels
Authors: Motealleh Andisheh , Kehr Nermin S.
Published: September 2020

Step-gradient scaffolds promote healthy cell migration, while inhibit the migration of cancerous cells in theXZplane of the2GradNS.
Chloroplast biosolar cell and self-powered herbicide monitoring
Authors: Grattieri Matteo , Chen Hui , Minteer Shelley D.
Published: September 2020

Enhancing photoexcited electron harvesting from intact-chloroplast photoanodes for self-powered herbicide detection in biosolar cells.
Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst
Authors: Wang Fang , Cannon Austin T. , Bhattacharya Moumita , Baumgarten Robert , VanderLinden Ryan T. , Saouma Caroline T.
Published: September 2020

A cobalt(i) complex is shown to be capable of both electrocatalytic reduction and hydrogenation of CO2 to formate.
Multichromophoric COO-BODIPYs: an advantageous design for the development of energy transfer and electron transfer systems
Authors: Ray César , Schad Christopher , Avellanal-Zaballa Edurne , Moreno Florencio , Maroto Beatriz L. , Bañuelos Jorge , García-Moreno Inmaculada , de la Moya Santiago
Published: September 2020

Synthesis and photonics avails a new design for multichromophoric arrays.
A stable organic dye catholyte for long-life aqueous flow batteries
Authors: Li Hongbin , Fan Hao , Ravivarma Mahalingam , Hu Bo , Feng Yangyang , Song Jiangxuan
Published: September 2020

An exceptionally stable organic dye with high solubility was, for the first time, used as the catholyte for long-life aqueous flow batteries.
Catechols: a new class of carbonic anhydrase inhibitors
Authors: D'Ambrosio Katia , Carradori Simone , Cesa Stefania , Angeli Andrea , Monti Simona M. , Supuran Claudiu T. , De Simone Giuseppina
Published: September 2020

Catechols adopt a peculiar binding mode to the CA active site which involves both the zinc bound water molecule and the “deep water”.
Ascorbic acid-mediated reductive disassembly of Fe3+-tannic acid shells in degradable single-cell nanoencapsulation
Authors: Lee Hojae , Park Joohyouck , Han Sang Yeong , Han Sol , Youn Wongu , Choi Hyunwoo , Yun Gyeongwon , Choi Insung S.
Published: September 2020

The simple use of vitamin C leads to the reductive disassembly of the Fe3+-TA complex andin situartificial shell degradation in single-cell nanoencapsulation.
From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC workflows
Authors: Hatcher Lauren E. , Burgess Ayrton J. , Payne Pollyanna , Wilson Chick C.
Published: September 2020

Two workflows are presented that are relevant to the design and construction of end-to-end pharmaceutical manufacturing processes.
Nanostructured zeolite with brain-coral morphology and tailored acidity: a self-organized hierarchical porous material with MFI topology
Authors: Selvam Esun , Parsapur Rajesh K. , Hernandez-Tamargo Carlos E. , de Leeuw Nora H. , Selvam Parasuraman
Published: September 2020

Nano-zeolite with brain-coral morphology formed by self-organization of ultra-small nanospheres, exhibits micro/meso porosity with high surface area, distributed acid sites, and reduced diffusion resistance making it a promising solid acid catalyst.
Synthesis and magnetic properties of two Mn-based coordination polymers constructed by a mixed-ligand strategy
Authors: Zhang Yujuan , Gao Lingling , Zhou Wendi , Wei Xiaoqin , Hu Tuoping
Published: September 2020

Two Mn(ii) CPs have been synthesized by mixed-ligand strategy and measured for their magnetic properties. Moreover, analysis of the magnetic structure–effect relationship indicates that 1 and 2 have different Mn chains of magnetic interactions.
Refractive properties of the α-BaGeO3 crystal and their origins: a density functional theory study
Authors: Wan Songming , Jiang Shengjie , Zeng Yu , Luo Wen
Published: September 2020

Density functional theory calculations show that α-BaGeO3 is a promising birefringent crystal used in the mid-IR region; its unique refractive characteristics are associated with the Ba–O bonds and their spatial orientations.
The influence of diameter of multiwalled carbon nanotubes on mechanical, optical and electrical properties of Langmuir–Schaefer films
Authors: Rytel Karol , Kędzierski Kamil , Barszcz Bolesław , Widelicka Małgorzata , Stachowiak Alicja , Biadasz Andrzej , Majchrzycki Łukasz , Coy Emerson , Wróbel Danuta
Published: September 2020

In this paper results of a study of mechanical, optical and electrical properties of thin films made of multiwall carbon nanotubes (MWCNT) of various types were reported.
Molecular dynamics simulation of carbon dioxide diffusion in NaA zeolite: assessment of surface effects and evaluation of bulk-like properties
Authors: Slavova Sofia O. , Sizova Anastasia A. , Sizov Vladimir V.
Published: September 2020

Simulation study of surface effects and diffusion in CO2-loaded cationic LTA zeolite produced CO2 and Na+ diffusion activation energies.
Low-power STMAS – breaking through the limit of large quadrupolar interactions in high-resolution solid-state NMR spectroscopy
Authors: Hung Ivan , Gan Zhehong
Published: September 2020

The STMAS NMR experiment reported requires significantly lower rf fields and allows acquisition of high-resolution spectra for large quadrupolar interactions.
Discovery of potent inhibitors for SARS-CoV-2's main protease by ligand-based/structure-based virtual screening, MD simulations, and binding energy calculations
Authors: Abu-Saleh Abd Al-Aziz A. , Awad Ibrahim E. , Yadav Arpita , Poirier Raymond A.
Published: September 2020

Computational investigation of novel inhibitors for SARS-CoV-2 Mpro.
A molecular tailoring approach – a new guide to quantify the energy of push–pull effects: a case study on (E)-3-(1H-pyrrol-2-yl)prop-2-enones
Authors: Afonin Andrei V. , Rusinska-Roszak Danuta
Published: September 2020

We report a new approach to quantify the push–pull effect in molecules with internal charge transfer.
Direct amide formation in a continuous-flow system mediated by carbon disulfide
Authors: Orsy György , Fülöp Ferenc , Mándity István M.
Published: September 2020

We report a direct flow-based synthesis of amides. The developed approach is prominently simple and various aliphatic and aromatic amides were synthetized with excellent yields. The technology is considerably robust and easy scale-up was carried out.
Reductive transformations of dichloroacetamide safeners: effects of agrochemical co-formulants and iron oxide + manganese oxide binary-mineral systems
Authors: Ricko Allison N. , Psoras Andrew W. , Sivey John D.
Published: September 2020

Abiotic redox transformation rates of dichloroacetamide safeners slow when birnessite is added to slurries of Fe(ii)-amended hematite.
Metal nanoparticles in the air: state of the art and future perspectives
Authors: Rabajczyk Anna , Zielecka Maria , Porowski Rafał , Hopke Philip K.
Published: September 2020

Nanoparticles containing metals in their structure constitute an increasingly large group of substances present in the air.
Fattening chips: hypertrophy, feeding, and fasting of human white adipocytesin vitro
Authors: Pope Benjamin D. , Warren Curtis R. , Dahl Madeleine O. , Pizza Christina V. , Henze Douglas E. , Sinatra Nina R. , Gonzalez Grant M. , Chang Huibin , Liu Qihan , Glieberman Aaron L. , Ferrier John P. , Cowan Chad A. , Parker Kevin Kit
Published: September 2020

Micropatterned adipocytes are grown to adult cell sizesin vitroon a nanofiber network.
Development of an ultra-sensitive para-nitrophenol sensor using tri-metallic oxide MoO2·Fe3O4·CuO nanocomposites
Authors: Subhan Md Abdus , Chandra Saha Pallab , Ahmed Jahir , Asiri Abdullah M. , Al-Mamun Mohammad , Rahman Mohammed M.
Published: September 2020

A linear calibration plot (r2: 0.9995) was obtained for 1.0 pM to 1.0 mM solution of para-nitrophenol, with a sensitivity value of 5.2430 μA μM−1 cm−2, remarkably low detection limit (LOD) as 0.2 pM towards MoO2·Fe3O4·CuO/Nafion/GCE sensor for p-NP.
Gaining deeper insights into the surface binding of bedaquiline analogues with the ATP synthase subunit C of Mycobacterium tuberculosis using molecular docking, molecular dynamics simulation and 3D-QSAR techniques
Authors: Lobo Manisha Joshel , Ray Rajdeep , Shenoy G. Gautham
Published: September 2020

This computational study exclusively illustrates the key molecular features of bedaquiline and its analogues required for binding to mycobacterial ATP synthase.
Design and screening of SGK1, Src dual inhibitors using pharmacophore models, molecular docking, and molecular dynamics simulation
Authors: Sun Chuan-ce , Zhang Li-chuan , Gao Cheng-long , Zhang Hao-ran , Yu Ri-lei , Kang Cong-min
Published: September 2020

Serum and glucocorticoid-regulated protein kinase 1 that can promote the growth of tumor cells is highly expressed in many tumors. Sarcoma gene plays an important role in the pathogenesis of cancer and is an important kinase in tumor cell expression pathways.
Crystal structure, luminescence properties and thermal stability of BaY2−xEuxGe3O10 phosphors with high colour purity for blue-excited pc-LEDs
Authors: Lipina Olga A. , Surat Ludmila L. , Baklanova Yana V. , Mironov Leonid Yu. , Enyashin Andrey N. , Chufarov Alexander Yu. , Tyutyunnik Alexander P. , Zubkov Vladimir G.
Published: September 2020

The luminescence properties of reddish-orange emitting BaY2−xEuxGe3O10 phosphors crystallizing in the monoclinic system (S.G. P21/m) have been discussed in detail. The studied germanates are appropriate for applications in high-powered pc-LEDs.
Crystallization time in ZnO: the role of surface OH groups in its photoactivity
Authors: de Almeida Jéssica C. , Corrêa Mateus T. , Koga Rafaella H. , Del Duque Douglas M. S. , Lopes Osmando F. , da Silva Gelson T. S. T. , Ribeiro Caue , de Mendonça Vagner R.
Published: September 2020

The crystallization time and surface modifications concerning the hydroxyl groups on the ZnO catalyst were studied and the results suggest that there is a balance between the surface groups and morphology playing a critical role in its photoactivity.
High performance single-crystalline organic field-effect transistors based on molecular-modified dibenzo[a,e]pentalenes derivatives
Authors: Yin Fan , Wang Long , Yang Xiankai , Liu Meihui , Geng Hua , Liao Yi , Liao Qing , Fu Hongbing
Published: September 2020

Modulating the charge transport properties realized by a controllable molecular structure resulted in different packing arrangements.
Platelet-structured strontium titanate perovskite decorated on graphene oxide as a nanocatalyst for electrochemical determination of neurotransmitter dopamine
Authors: Gopi Praveen Kumar , Muthukutty Balamurugan , Chen Shen-Ming , Chen Tse-Wei , Liu Xiaoheng , Alothman Asma A. , Ali Mohammad Ajmal , Wabaidur Saikh Mohammad
Published: September 2020

In this work, we synthesized strontium titanate (SrTiO3) by a simple co-precipitation technique and decorated it with graphene oxide (SrTiO3/GO) for the effective determination of neurotransmitter agent dopamine (DA).
Role of dissolved oxygen in nitroarene reduction by a heterogeneous silver textile catalyst in water
Authors: Karuppusamy Sembanadar , Marken Frank , Kulandainathan Manickam Anbu
Published: September 2020

The effects of dissolved oxygen concentration on the rate constant of the 4-nitrophenol reduction reaction with a silver-coated textile as a ‘dip-catalyst’ were studied.
Two-dimensional graphitic carbon nitride nanosheets: a novel platform for flexible, robust and optically active triboelectric nanogenerators
Authors: Bayan S. , Bhattacharya D. , Mitra R. K. , Ray S. K.
Published: September 2020

A photograph of g-C3N4 (CN)-based flexible triboelectric nanogenerator and scheme of its applicability for power generation.
Network-based analysis implies critical roles of microRNAs in the long-term cellular responses to gold nanoparticles
Authors: Falagan-Lotsch Priscila , Murphy Catherine J.
Published: September 2020

Herein, we identify the long-term miRNA expression changes induced by a low dose of AuNPs, providing a systems-level perspective of these changes. The miRNA dysregulation is mostly implicated in the cellular response to the stress caused by AuNPs.
Multiple d–d bonds between early transition metals in TM2Lin (TM = Sc, Ti) superatomic molecule clusters
Authors: Zhou Yichun , Yu Xinlei , Cheng Longjiu
Published: September 2020

Early transition metal Sc–Sc form d–d quintuple bonds via superatomic bonding in the Li20Sc2 cluster.
Nanocage formation and structural anomalies in imidazolium ionic liquid glasses governed by alkyl chains of cations
Authors: Bakulina Olga D. , Ivanov Mikhail Yu. , Prikhod'ko Sergey A. , Pylaeva Svetlana , Zaytseva Irina V. , Surovtsev Nikolay V. , Adonin Nicolay Yu. , Fedin Matvey V.
Published: September 2020

Alkyl chains of cations govern intriguing and prospective nanostructuring phenomena in glassy imidazolium-based ionic liquids.
Mechanistic study of the competitiveness between branched and linear polyethylene production on N-arylcyano-β-diketiminate nickel hydride
Authors: Ortega Daniela E. , Cortés-Arriagada Diego , Trofymchuk Oleksandra S. , Nachtigall Fabiane M. , Santos Leonardo S. , Rojas René S. , Toro-Labbé Alejandro
Published: September 2020

This paper provides a guide to identify and understand the mechanistic origin of the catalytic activity and selectivity in the production of linear and branched polyethylene through a nickel hydride catalyst.
PtMn/PtCo alloy nanofascicles: robust electrocatalysts for electrocatalytic hydrogen evolution reaction under both acidic and alkaline conditions
Authors: Hu Jinwu , Fang Caihong , Jiang Xiaomin , Zhang Deliang , Cui Zhiqing
Published: September 2020

Herein, PtMn and PtCo nanofascicles were prepared by ultrathin nanofibers using a versatile method, and can be employed as effective electrocatalysts toward the HER under both acidic and alkaline conditions.
A practical ortho-acylation of aryl iodides enabled by moisture-insensitive activated esters via palladium/norbornene catalysis
Authors: Feng Yunxia , Wang Yangyang , Zhao Shen , Zhang Dao-Peng , Li Xinjin , Liu Hui , Dong Yunhui , Sun Feng-Gang
Published: September 2020

Herein reported is a practical Catellani-type ortho-acylation of aryl iodides enabled by employing moisture-insensitive esters as the electrophile via C(O)–O bond cleavage.
Palladium-catalyzed tandem reaction of epoxynitriles with arylboronic acids in aqueous medium: divergent synthesis of furans and pyrroles
Authors: Yu Shuling , Dai Ling , Shao Yinlin , Li Renhao , Chen Zhongyan , Lv Ningning , Chen Jiuxi
Published: September 2020

A palladium-catalyzed controllable divergent synthesis of furans and pyrroles through a cascade reaction of epoxynitriles with arylboronic acids has been developed in the aqueous phase.
Flexible electrospun PVDF–BaTiO3 hybrid structure pressure sensor with enhanced efficiency
Authors: Kalani Sahar , Kohandani Reza , Bagherzadeh Roohollah
Published: September 2020

A hybrid structure composed of organic and inorganic piezoelectric fibrous material was developed as a flexible and stretchable pressure sensor. A separately sprayed configuration has the best performance for low frequency and low-pressure conditions.
Interactions of sub-five-nanometer diameter colloidal palladium nanoparticles in solution investigated via liquid cell transmission electron microscopy
Authors: Wang Haifeng , Zhou Xiaoqin , Huang Yunhui , Chen Xin , Jin Chuanhong
Published: September 2020

In this paper, sub-5 nm diameter palladium nanoparticles were prepared in situ inside the liquid cell, and the interactions between them were investigated via liquid cell transmission electron microscopy.
Bio-oils from vacuum ablative pyrolysis of torrefied tobacco residues
Authors: Khuenkaeo Nattawut , MacQueen Blake , Onsree Thossaporn , Daiya Sangu , Tippayawong Nakorn , Lauterbach Jochen
Published: September 2020

Thermochemical conversion of tobacco residues to value-added bio-fuels and chemicals via fast pyrolysis, in combination with torrefaction pretreatment, in a rotating blade ablative reactor under vacuum conditions.
Antiulcer secondary metabolites from Elaeocarpus grandis, family Elaeocarpaceae, supported by in silico studies
Authors: Mohie El-Dien Radwa Taher , Maher Sherif A. , Abdelmohsen Usama Ramadan , AboulMagd Asmaa M. , Fouad Mostafa Ahmed , Kamel Mohamed Salah
Published: September 2020

Elaeocarpus grandis has a very potent analgesic effect, especially to a δ-opioid receptor, but its antiulcer activity has not yet been validated.
Synthesis, structure and thermal properties of montmorillonite/ionic liquid ionogels
Authors: Noskov Andrew V. , Alekseeva Olga V. , Shibaeva Valeriya D. , Agafonov Alexander V.
Published: September 2020

Sodium montmorillonite (Na-MMT) was synthesized as a result of two-stage processing of natural bentonite (Bent), and its particle-size distribution, structure and morphology were studied.
Thermal property and structural molecular dynamics of organic–inorganic hybrid perovskite 1,4-butanediammonium tetrachlorocuprate
Authors: Yoon Ma Byong , Lee Won Jun , Lim Ae Ran
Published: September 2020

We investigate the thermal behaviour and physical properties of the crystals of the organic inorganic hybrid perovskite [(NH3)(CH2)4(NH3)]CuCl4.
A facile method for the preparation of black TiO2 by Al reduction of TiO2 and their visible light photocatalytic activity
Authors: Li Jun , Wu En-Hui , Hou Jing , Huang Ping , Xu Zhong , Jiang Yan , Liu Qian-Shu , Zhong Yu-Quan
Published: September 2020

Black TiO2 has attracted widespread attention due to its visible light absorption and wide range of applications.
pH dependency of the structural and photophysical properties of the atypical 2′,3-dihydroxyflavone
Authors: Labarrière Luc , Moncomble Aurélien , Cornard Jean-Paul
Published: September 2020

The assignment of the multiple fluorescence emission wavelengths of 2′,3-dihydroxyflavone highlights its particular properties compared to analogues.
The construction of a simple sensor for the simultaneous detection of nitrite and thiosulfate by heme catalysis
Authors: Han Guo-Cheng , Li Huifang , Ferranco Annaleizle , Tao Zhan  , Cheng Yunyun , Chen Zhencheng , Xue Mingyue , Feng Xiao-Zhen , Kraatz Heinz-Bernhard
Published: September 2020

Several simple sensors were fabricated through a one-step method.