bluuebunny/crossref_metadata_2025 huggingface dataset:
Nuclear spin coupling crossover in dense molecular hydrogen
Authors: Meier Thomas , Laniel Dominique , Pena-Alvarez Miriam , Trybel Florian , Khandarkhaeva Saiana , Krupp Alena , Jacobs Jeroen , Dubrovinskaia Natalia , Dubrovinsky Leonid
Published: December 2020

One of the most striking properties of molecular hydrogen is the coupling between molecular rotational properties and nuclear spin orientations, giving rise to the spin isomers ortho- and para-hydrogen. At high pressure, as intermolecular interactions increase significantly, the free rotation of H2 molecules is increasingly hindered, and consequently a modification of the coupling between molecular rotational properties and the nuclear spin system can be anticipated. To date, high-pressure experimental methods have not been able to observe nuclear spin states at pressures approaching 100 GPa (Meier, Annu. Rep. NMR Spectrosc. 94:1–74, 2017; Meier, Prog. Nucl. Magn. Reson. Spectrosc. 106–107:26–36, 2018) and consequently the effect of high pressure on the nuclear spin statistics could not be directly measured. Here, we present in-situ high-pressure nuclear magnetic resonance data on molecular hydrogen in its hexagonal phase I up to 123 GPa at room temperature. While our measurements confirm the presence of ortho-hydrogen at low pressures, above 70 GPa, we observe a crossover in the nuclear spin statistics from a spin-1 quadrupolar to a spin-1/2 dipolar system, evidencing the loss of spin isomer distinction. These observations represent a unique case of a nuclear spin crossover phenomenon in quantum solids.
Differential cell adhesion implemented by Drosophila Toll corrects local distortions of the anterior-posterior compartment boundary
Authors: Iijima Norihiro , Sato Katsuhiko , Kuranaga Erina , Umetsu Daiki
Published: December 2020

Maintaining lineage restriction boundaries in proliferating tissues is vital to animal development. A long-standing thermodynamics theory, the differential adhesion hypothesis, attributes cell sorting phenomena to differentially expressed adhesion molecules. However, the contribution of the differential adhesion system during tissue morphogenesis has been unsubstantiated despite substantial theoretical support. Here, we report that Toll-1, a transmembrane receptor protein, acts as a differentially expressed adhesion molecule that straightens the fluctuating anteroposterior compartment boundary in the abdominal epidermal epithelium of the Drosophila pupa. Toll-1 is expressed across the entire posterior compartment under the control of the selector gene engrailed and displays a sharp expression boundary that coincides with the compartment boundary. Toll-1 corrects local distortions of the boundary in the absence of cable-like Myosin II enrichment along the boundary. The reinforced adhesion of homotypic cell contacts, together with pulsed cell contraction, achieves a biased vertex sliding action by resisting the separation of homotypic cell contacts in boundary cells. This work reveals a self-organizing system that integrates a differential adhesion system with pulsed contraction of cells to maintain lineage restriction boundaries.
Uptake of monoaromatic hydrocarbons during biodegradation by FadL channel-mediated lateral diffusion
Authors: Somboon Kamolrat , Doble Anne , Bulmer David , Baslé Arnaud , Khalid Syma , van den Berg Bert
Published: December 2020

In modern societies, biodegradation of hydrophobic pollutants generated by industry is important for environmental and human health. In Gram-negative bacteria, biodegradation depends on facilitated diffusion of the pollutant substrates into the cell, mediated by specialised outer membrane (OM) channels. Here we show, via a combined experimental and computational approach, that the uptake of monoaromatic hydrocarbons such as toluene in Pseudomonas putida F1 (PpF1) occurs via lateral diffusion through FadL channels. Contrary to classical diffusion channels via which polar substrates move directly into the periplasmic space, PpF1 TodX and CymD direct their hydrophobic substrates into the OM via a lateral opening in the channel wall, bypassing the polar barrier formed by the lipopolysaccharide leaflet on the cell surface. Our study suggests that lateral diffusion of hydrophobic molecules is the modus operandi of all FadL channels, with potential implications for diverse areas such as biodegradation, quorum sensing and gut biology.
Publisher Correction: Enabling “lithium-free” manufacturing of pure lithium metal solid-state batteries through in situ plating
Authors: Wang Michael J. , Carmona Eric , Gupta Arushi , Albertus Paul , Sakamoto Jeff
Published: December 2020

A Correction to this paper has been published: https://doi.org/10.1038/s41467-020-20374-y
A flexible computational pipeline for research analyses of unsolved clinical exome cases
Authors: Lassmann Timo , Francis Richard W. , Weeks Alexia , Tang Dave , Jamieson Sarra E. , Broley Stephanie , Dawkins Hugh J. S. , Dreyer Lauren , Goldblatt Jack , Groza Tudor , Kamien Benjamin , Kiraly-Borri Cathy , McKenzie Fiona , Murphy Lesley , Pachter Nicholas , Pathak Gargi , Poulton Cathryn , Samanek Amanda , Skoss Rachel , Slee Jennie , Townshend Sharron , Ward Michelle , Baynam Gareth S. , Blackwell Jenefer M.
Published: December 2020

Exome sequencing has enabled molecular diagnoses for rare disease patients but often with initial diagnostic rates of ~25−30%. Here we develop a robust computational pipeline to rank variants for reassessment of unsolved rare disease patients. A comprehensive web-based patient report is generated in which all deleterious variants can be filtered by gene, variant characteristics, OMIM disease and Phenolyzer scores, and all are annotated with an ACMG classification and links to ClinVar. The pipeline ranked 21/34 previously diagnosed variants as top, with 26 in total ranked ≤7th, 3 ranked ≥13th; 5 failed the pipeline filters. Pathogenic/likely pathogenic variants by ACMG criteria were identified for 22/145 unsolved cases, and a previously undefined candidate disease variant for 27/145. This open access pipeline supports the partnership between clinical and research laboratories to improve the diagnosis of unsolved exomes. It provides a flexible framework for iterative developments to further improve diagnosis.
Design and evaluation of a data anonymization pipeline to promote Open Science on COVID-19
Authors: Jakob Carolin E. M. , Kohlmayer Florian , Meurers Thierry , Vehreschild Jörg Janne , Prasser Fabian
Published: December 2020

The Lean European Open Survey on SARS-CoV-2 Infected Patients (LEOSS) is a European registry for studying the epidemiology and clinical course of COVID-19. To support evidence-generation at the rapid pace required in a pandemic, LEOSS follows an Open Science approach, making data available to the public in real-time. To protect patient privacy, quantitative anonymization procedures are used to protect the continuously published data stream consisting of 16 variables on the course and therapy of COVID-19 from singling out, inference and linkage attacks. We investigated the bias introduced by this process and found that it has very little impact on the quality of output data. Current laws do not specify requirements for the application of formal anonymization methods, there is a lack of guidelines with clear recommendations and few real-world applications of quantitative anonymization procedures have been described in the literature. We therefore believe that our work can help others with developing urgently needed anonymization pipelines for their projects.
Augmenting aesthetic chills using a wearable prosthesis improves their downstream effects on reward and social cognition
Authors: Haar A. J. H. , Jain A. , Schoeller F. , Maes P.
Published: December 2020

Previous studies on aesthetic chills (i.e., psychogenic shivers) demonstrate their positive effects on stress, pleasure, and social cognition. We tested whether we could artificially enhance this emotion and its downstream effects by intervening on its somatic markers using wearable technology. We built a device generating cold and vibrotactile sensations down the spine of subjects in temporal conjunction with a chill-eliciting audiovisual stimulus, enhancing the somatosensation of cold underlying aesthetic chills. Results suggest that participants wearing the device experienced significantly more chills, and chills of greater intensity. Further, these subjects reported sharing the feelings expressed in the stimulus to a greater degree, and felt more pleasure during the experience. These preliminary results demonstrate that emotion prosthetics and somatosensory interfaces offer new possibilities of modulating human emotions from the bottom-up (body to mind). Future challenges will include testing the device on a larger sample and diversifying the type of stimuli to account for negatively valenced chills and intercultural differences. Interoceptive technologies offer a new paradigm for affective neuroscience, allowing controlled intervention on conscious feelings and their downstream effects on higher-order cognition.
Abdominal FLASH irradiation reduces radiation-induced gastrointestinal toxicity for the treatment of ovarian cancer in mice
Authors: Levy Karen , Natarajan Suchitra , Wang Jinghui , Chow Stephanie , Eggold Joshua T. , Loo Phoebe E. , Manjappa Rakesh , Melemenidis Stavros , Lartey Frederick M. , Schüler Emil , Skinner Lawrie , Rafat Marjan , Ko Ryan , Kim Anna , H. Al-Rawi Duaa , von Eyben Rie , Dorigo Oliver , Casey Kerriann M. , Graves Edward E. , Bush Karl , Yu Amy S. , Koong Albert C. , Maxim Peter G. , Loo Billy W. , Rankin Erinn B.
Published: December 2020

Radiation therapy is the most effective cytotoxic therapy for localized tumors. However, normal tissue toxicity limits the radiation dose and the curative potential of radiation therapy when treating larger target volumes. In particular, the highly radiosensitive intestine limits the use of radiation for patients with intra-abdominal tumors. In metastatic ovarian cancer, total abdominal irradiation (TAI) was used as an effective postsurgical adjuvant therapy in the management of abdominal metastases. However, TAI fell out of favor due to high toxicity of the intestine. Here we utilized an innovative preclinical irradiation platform to compare the safety and efficacy of TAI ultra-high dose rate FLASH irradiation to conventional dose rate (CONV) irradiation in mice. We demonstrate that single high dose TAI-FLASH produced less mortality from gastrointestinal syndrome, spared gut function and epithelial integrity, and spared cell death in crypt base columnar cells compared to TAI-CONV irradiation. Importantly, TAI-FLASH and TAI-CONV irradiation had similar efficacy in reducing tumor burden while improving intestinal function in a preclinical model of ovarian cancer metastasis. These findings suggest that FLASH irradiation may be an effective strategy to enhance the therapeutic index of abdominal radiotherapy, with potential application to metastatic ovarian cancer.
Interoceptive insular cortex participates in sensory processing of gastrointestinal malaise and associated behaviors
Authors: Aguilar-Rivera Marcelo , Kim Sanggyun , Coleman Todd P. , Maldonado Pedro E. , Torrealba Fernando
Published: December 2020

The insular cortex plays a central role in the perception and regulation of bodily needs and emotions. Its modular arrangement, corresponding with different sensory modalities, denotes a complex organization, and reveals it to be a hub that is able to coordinate autonomic and behavioral responses to many types of stimuli. Yet, little is known about the dynamics of its electrical activity at the neuronal level. We recorded single neurons in behaving rats from the posterior insula cortex (pIC), a subdivision considered as a primary interoceptive cortex, during gastrointestinal (GI) malaise, a state akin to the emotion of disgust in humans. We found that a large proportion of pIC neurons were modulated during the rodent compensatory behaviors of lying on belly (LOB) and Pica. Furthermore, we demonstrated that LOB was correlated with low-frequency oscillations in the field potentials and spikes at the theta (8 Hz) band, and that low-frequency electrical microstimulation of pIC elicited LOB and Pica. These findings demonstrate that pIC neurons play a critical role in GI malaise perception, and that the pIC influences the expression of behaviors that alleviate GI malaise. Our model provides an accessible approach at the single cell level to study innate emotional behaviors, currently elusive in humans.
DNA damage in lens epithelial cells exposed to occupationally-relevant X-ray doses and role in cataract formation
Authors: Udroiu Ion , Sgura Antonella , Chendi Agnese , Lasagni Lorenzo , Bertolini Marco , Fioroni Federica , Piccagli Vando , Moramarco Antonio , Romano Maria Grazia , Fontana Luigi , D’Alessio Daniela , Bruzzaniti Vicente , Rosi Antonella , Grande Sveva , Palma Alessandra , Giliberti Claudia , Iori Mauro , Piergallini Lorenzo , Sumini Marco , Isolan Lorenzo , Cucchi Giorgio , Compagnone Gaetano , Strigari Lidia
Published: December 2020

The current framework of radiological protection of occupational exposed medical workers reduced the eye-lens equivalent dose limit from 150 to 20 mSv per year requiring an accurate dosimetric evaluation and an increase understanding of radiation induced effects on Lens cells considering the typical scenario of occupational exposed medical operators. Indeed, it is widely accepted that genomic damage of Lens epithelial cells (LEC) is a key mechanism of cataractogenesis. However, the relationship between apoptosis and cataractogenesis is still controversial. In this study biological and physical data are combined to improve the understanding of radiation induced effects on LEC. To characterize the occupational exposure of medical workers during angiographic procedures an INNOVA 4100 (General Electric Healthcare) equipment was used (scenario A). Additional experiments were conducted using a research tube (scenario B). For both scenarios, the frequencies of binucleated cells, micronuclei, p21-positive cells were assessed with different doses and dose rates. A Monte-Carlo study was conducted using a model for the photon generation with the X-ray tubes and with the Petri dishes considering the two different scenarios (A and B) to reproduce the experimental conditions and validate the irradiation setups to the cells. The simulation results have been tallied using the Monte Carlo code MCNP6. The spectral characteristics of the different X-ray beams have been estimated. All irradiated samples showed frequencies of micronuclei and p21-positive cells higher than the unirradiated controls. Differences in frequencies increased with the delivered dose measured with Gafchromic films XR-RV3. The spectrum incident on eye lens and Petri, as estimated with MCNP6, was in good agreement in the scenario A (confirming the experimental setup), while the mean energy spectrum was higher in the scenario B. Nevertheless, the response of LEC seemed mainly related to the measured absorbed dose. No effects on viability were detected. Our results support the hypothesis that apoptosis is not responsible for cataract induced by low doses of X-ray (i.e. 25 mGy) while the induction of transient p21 may interfere with the disassembly of the nuclear envelop in differentiating LEC, leading to cataract formation. Further studies are needed to better clarify the relationship we suggested between DNA damage, transient p21 induction and the inability of LEC enucleation.
Increased immune marker variance in a population of invasive birds
Authors: Prüter Hanna , Franz Mathias , Twietmeyer Sönke , Böhm Niklas , Middendorff Gudrun , Portas Ruben , Melzheimer Jörg , Kolberg Holger , von Samson-Himmelstjerna Georg , Greenwood Alex D. , Lüschow Dörte , Mühldorfer Kristin , Czirják Gábor Árpád
Published: December 2020

Immunity and parasites have been linked to the success of invasive species. Especially lower parasite burden in invasive populations has been suggested to enable a general downregulation of immune investment (Enemy Release and Evolution of Increased Competitive Ability Hypotheses). Simultaneously, keeping high immune competence towards potentially newly acquired parasites in the invasive range is essential to allow population growth. To investigate the variation of immune effectors of invasive species, we compared the mean and variance of multiple immune effectors in the context of parasite prevalence in an invasive and a native Egyptian goose (Alopochen aegyptiacus) population. Three of ten immune effectors measured showed higher variance in the invasive population. Mean levels were higher in the invasive population for three effectors but lower for eosinophil granulocytes. Parasite prevalence depended on the parasite taxa investigated. We suggest that variation of specific immune effectors, which may be important for invasion success, may lead to higher variance and enable invasive species to reduce the overall physiological cost of immunity while maintaining the ability to efficiently defend against novel parasites encountered.
Trends and patterns in the use of opioids among metastatic breast cancer patients
Authors: Shen Chan , Thornton J. Douglas , Newport Kristina , Schaefer Eric , Zhou Shouhao , Yee Nelson S. , Dodge Daleela , Leslie Douglas
Published: December 2020

Opioid use among metastatic breast cancer (MBC) patients has not been well-studied. This study examined the trends and patterns of opioid use among working-age, privately insured patients diagnosed with MBC. Using MarketScan data, we identified female patients diagnosed with MBC in 2006–2015. We determined the proportion of patients who filled a prescription for an opioid and calculated days’ supply and daily morphine milligram equivalents (MMEs) from 1 year prior to diagnosis till 1 year after. We assessed the trend in opioid use over the 10-year study period and examined opioid usage patterns after the diagnosis of MBC. Among 24,752 patients included, 11,579 (46.8%) had an opioid prescription within 1 year before diagnosis of MBC, and 20,416 (81.4%) had an opioid prescription within 1 year after diagnosis. The proportion of patients with opioid prescriptions after diagnosis was relatively stable from 2006 to 2015. However, both the median daily MME and median days’ supply decreased over time with most of the decline from the subgroup of patients with prior prescription opioid use. Most patients received an opioid prescription in the first month after diagnosis (57.3%), dropping to approximately 20% from 3 to 12 months after diagnosis. Also, the median days’ supply increased substantially during the year after diagnosis for patients who received opioids (from 7 to 19). Most women with MBC require opioid analgesia within the first month after diagnosis. Judicious, long-term management of pain after diagnosis of MBC will continue to be necessary for many patients.
Etiology and outcomes of current posterior chamber phakic intraocular lens extraction
Authors: Hayakawa Hideki , Kamiya Kazutaka , Ando Wakako , Takahashi Masahide , Shoji Nobuyuki
Published: December 2020

This study was aimed to review the etiology and the outcomes of current posterior chamber phakic intraocular lens (Visian ICL, STAAR Surgical) extraction. This review comprised 770 eyes of 403 consecutive patients undergoing ICL extraction. We evaluated prevalence, etiology, uncorrected distance visual acuity (UDVA), corrected distance visual acuity (CDVA), predictability, and patient satisfaction. ICL extraction was required in 8 of 770 (1.0%) eyes. The most common reason was the progression of the pre-existing cataract formation in 5 eyes (63%), followed by residual refractive errors in 3 eyes (38%). Of the 7 eyes targeted for emmetropia, 7 (100%) and 6 (86%) achieved UDVAs of 20/40 and 20/20 or better, respectively. Three eyes (38%) showed no change in CDVA, 3 eyes (38%) gained 1 line, 2 eyes (25%) gained 3 or more lines. 88% and 100% were within ± 0.5 and 1.0 diopter (D), respectively, of the targeted correction. Patient satisfaction improved significantly, from 3.0 ± 1.4 preoperatively, to 8.0 ± 2.4 postoperatively. No vision-threatening complications occurred. ICL extraction was required in approximately 1% of ICL-implanted eyes. Visual and refractive outcomes were good, and patient satisfaction was overall high, even in ICL-extracted eyes.
Spatiotemporal dynamic evolution and driving factors of desertification in the Mu Us Sandy Land in 30 years
Authors: Han Xueying , Jia Guangpu , Yang Guang , Wang Ning , Liu Feng , Chen Haoyu , Guo Xinyu , Yang Wenbin , Liu Jing
Published: December 2020

The Mu Us Sandy Land is located in the middle of the farming pastoral ecotone of northern China. The direction of the development of desertification has a direct impact on the economy and development of the northern region. Six remote sensing images acquired during 1990–2017 served as data sources. Using an ENVI 5.3 and ArcGIS 10.3 platform an analysis was conducted of the dynamic changes nearly 30 years in desertified land using a center of gravity moving model, annual change rate, a transfer matrix, and an aeolian desertification index; the factors driving desertification were discussed. The research shows that the time period can be divided into three stages of desertification: development (1990–2000), rapid reversal (2000–2010), and stable reversal (2010–2017). A total of 1680 km2 of desertification were managed over the three stages. Spatially, the distribution of the center of desertification from west to east includes mild, moderate, severe, and extreme desertification, which is consistent with the spatial distribution trends of desertified land in the Mu Us Sandy Land. By the end of 2017, the degree of desertification of the Mu Us Sandy Land was in the central area > northwest > southwest > east > south. Nearly 30 years, the wind speed has decreased year by year at the rate of 0.1 m s−1, which directly reduce the ability to winds to transport soil in the Mu Us Sandy Land and promoted the reversal of desertification. From 1990 to 2010, the climate tended to become warmer and drier. Environmental protection policies along with human intervention and control of desertification have played important roles in reversing desertification. From 2010 to 2020, under the general background of a warm-wet climatic tendency, rational use of sand resources and strengthening scientific control of desertification inducing factors are the keys to reversing desertification.
Generation of KS-58 as the first K-Ras(G12D)-inhibitory peptide presenting anti-cancer activity in vivo
Authors: Sakamoto Kotaro , Masutani Teruaki , Hirokawa Takatsugu
Published: December 2020

Ras mutations (e.g., occur in K-Ras, N-Ras, and H-Ras) are one of the most desirable and promising drug targets in chemotherapy treatments for cancer. However, there are still no approved drugs directly targeting mutated Ras. In 2017, an artificial cyclic peptide, KRpep-2d, was discovered as the first selective inhibitor of K-Ras(G12D), the most frequent K-Ras mutation. Here, we report the generation of KS-58, a KRpep-2d derivative that is identified as a bicyclic peptide and possess unnatural amino acid structures. Our in vitro data and molecular dynamics simulations suggest that KS-58 enters cells and blocks intracellular Ras–effector protein interactions. KS-58 selectively binds to K-Ras(G12D) and suppresses the in vitro proliferation of the human lung cancer cell line A427 and the human pancreatic cancer cell line PANC-1, both of which express K-Ras(G12D). Moreover, KS-58 exhibits anti-cancer activity when given as an intravenous injection to mice with subcutaneous or orthotropic PANC-1 cell xenografts. The anti-cancer activity is further improved by combination with gemcitabine. To the best of our knowledge, this is the first report of K-Ras(G12D)-selective inhibitory peptide presenting in vivo anti-cancer activity. KS-58 is an attractive lead molecule for the development of novel cancer drugs that target K-Ras(G12D).
Aerosol droplet-size distribution and airborne nicotine portioning in particle and gas phases emitted by electronic cigarettes
Authors: Lalo Hélène , Leclerc Lara , Sorin Jérémy , Pourchez Jérémie
Published: December 2020

The reliable characterization of particle size distribution and nicotine delivery emitted by electronic cigarettes (ECs) is a critical issue in their design. Indeed, a better understanding of how nicotine is delivered as an aerosol with an appropriate aerodynamic size is a necessary step toward obtaining a well-designed nicotine transfer from the respiratory tract to the bloodstream to better satisfy craving and improve smoking cessation rates. To study these two factors, recent models of EC devices and a dedicated vaping machine were used to generate aerosols under various experimental conditions, including varying the EC power level using two different types of atomizers. The aerodynamic particle sizing of the resulting aerosol was performed using a cascade impactor. The nicotine concentration in the refill liquid and the aerosol droplet was quantified by liquid chromatography coupled with a photodiode array. The vaporization process and the physical and chemical properties of the EC aerosol were very similar at 15 watts (W) and 25 W using the low-power atomizer but quite distinct at 50 W using the high-power atomizer, as follows: (1) the mass median aerodynamic diameters ranged from 1.06 to 1.19 µm (µm) for low power and from 2.33 to 2.46 µm for high power; (2) the nicotine concentrations of aerosol droplets were approximately 11 mg per milliliter (mg/mL) for low power and 17 mg/mL for high power; and (3) the aerosol droplet particle phase of the total nicotine mass emitted by EC was 60% for low power and 95% for high power. The results indicate that varying the correlated factors (1) the power level and (2) the design of atomizer (including the type of coil and the value of resistance used) affects the particle-size distribution and the airborne nicotine portioning between the particle phase and the gas phase in equilibrium with the airborne droplets.
Accuracy of zero-heat-flux thermometry and bladder temperature measurement in critically ill patients
Authors: Bräuer Anselm , Fazliu Albulena , Perl Thorsten , Heise Daniel , Meissner Konrad , Brandes Ivo Florian
Published: December 2020

Core temperature (TCore) monitoring is essential in intensive care medicine. Bladder temperature is the standard of care in many institutions, but not possible in all patients. We therefore compared core temperature measured with a zero-heat flux thermometer (TZHF) and with a bladder catheter (TBladder) against blood temperature (TBlood) as a gold standard in 50 critically ill patients in a prospective, observational study. Every 30 min TBlood, TBladder and TZHF were documented simultaneously. Bland–Altman statistics were used for interpretation. 7018 pairs of measurements for the comparison of TBlood with TZHF and 7265 pairs of measurements for the comparison of TBlood with TBladder could be used. TBladder represented TBlood more accurate than TZHF. In the Bland Altman analyses the bias was smaller (0.05 °C vs. − 0.12 °C) and limits of agreement were narrower (0.64 °C to − 0.54 °C vs. 0.51 °C to – 0.76 °C), but not in clinically meaningful amounts. In conclusion the results for zero-heat-flux and bladder temperatures were virtually identical within about a tenth of a degree, although TZHF tended to underestimate TBlood. Therefore, either is suitable for clinical use.

German Clinical Trials Register, DRKS00015482, Registered on 20th September 2018, http://apps.who.int/trialsearch/Trial2.aspx?TrialID=DRKS00015482.
Effect of internet use and electronic game-play on academic performance of Australian children
Authors: Islam Md Irteja , Biswas Raaj Kishore , Khanam Rasheda
Published: December 2020

This study examined the association of internet use, and electronic game-play with academic performance respectively on weekdays and weekends in Australian children. It also assessed whether addiction tendency to internet and game-play is associated with academic performance. Overall, 1704 children of 11–17-year-olds from young minds matter (YMM), a cross-sectional nationwide survey, were analysed. The generalized linear regression models adjusted for survey weights were applied to investigate the association between internet use, and electronic-gaming with academic performance (measured by NAPLAN–National standard score). About 70% of the sample spent > 2 h/day using the internet and nearly 30% played electronic-games for > 2 h/day. Internet users during weekdays (> 4 h/day) were less likely to get higher scores in reading and numeracy, and internet use on weekends (> 2–4 h/day) was positively associated with academic performance. In contrast, 16% of electronic gamers were more likely to get better reading scores on weekdays compared to those who did not. Addiction tendency to internet and electronic-gaming is found to be adversely associated with academic achievement. Further, results indicated the need for parental monitoring and/or self-regulation to limit the timing and duration of internet use/electronic-gaming to overcome the detrimental effects of internet use and electronic game-play on academic achievement.
Development and Validation of Disease Assays for Phenotypic Screening
Authors: Berg Ellen L. , Denker Sheryl P. , O'Mahony Alison
Published: December 2020

Screening in phenotypic assays is an important strategy for the discovery of innovative drugs and novel targets. Here we present key strategies for developing successful phenotypic screens and prosecuting phenotypic drug discovery (PDD) programs. Successful screens incorporate physiological relevance through the use of human cell types and assay designs that have (1) strong mechanistic connection to clinical outcomes and (2) strong biological justification for both efficacy and safety. In addition to guidance for designing successful screens, we also propose incorporation of specific counterscreens at an early point in the program. The suggested counterscreens are based on analysis of 1000s of drugs and drug candidates profiled through a large set of human-based phenotypic assays. These assays include cytotoxicity in human primary vascular endothelial cells, proliferation of endothelial cells, and proliferation of lymphocytes, all under specific activation conditions. These counterscreens form a generic screening funnel to triage a large fraction of early-stage hits, binning compounds into those with undesirable mechanisms (associated with acute toxicity), mechanisms with utility for oncology indications, and mechanisms useful for autoimmune indications. The application of this screening funnel offers a standardized and more predictable path for prosecuting PDD programs, reducing the risk of failure, and improving program timelines.
Phenotypic Screen Leads to Identification of Novel Post-transcriptional Regulation Machinery for HBV
Authors: Holdorf Meghan , Javanbakht Hassan
Published: December 2020

Antiviral drug discovery aims to identify novel agents that inhibit viral replication or reduce expression of key pathogenic viral proteins while minimizing adverse effects. Target-based screening has been employed extensively to identify compounds targeting both viral and host proteins. While phenotypic screening has successfully identified antiviral compounds, determining each compound's target is challenging. Approximately 240 million individuals worldwide are chronically infected with hepatitis B virus (HBV), and more than 650 000 people die per year from HBV-associated liver diseases. The hallmarks of chronic HBV infection are high viral load (HBV DNA) and higher levels of non-infectious particles containing the tolerogenic viral S antigen (HBsAg). The current standard of care effectively reduces viremia, but rarely results in a functional cure, defined as sustained HBsAg loss. Recently, a novel, potent, small-molecule inhibitor of HBV gene expression (RG7834) was discovered from a phenotypic screen focused on identifying HBsAg production inhibitors. Target identification efforts led to the discovery of the non-canonical poly(A) RNA polymerases PAPD5 and PAPD7, which are required for HBV RNA stabilization, and are effectively antagonized by RG7834. Thus, we highlight the powerful approach of phenotypic screening for identifying novel antiviral drugs and unraveling key biological mechanisms important for the viral lifecycle.
Enhanced chemiluminescence determination of paracetamol
Authors: Emdadi Simin , Sorouraddin Mohammad Hossein , Denanny Lynn
Published: December 2020

Due to the severe consequences of potential overdoses of paracetamol (PCM) on the human body, the measurement of PCM in pharmaceutical and biological samples is essential.
One-pot intramolecular cyclization of 5-hydroxymethylcytosine for sequencing DNA hydroxymethylation at single-base resolution
Authors: Ma Yangde , Zhang Ning , Chen Shaokun , Sun Jingwei , Liu Yan , Li Xiangjun , Wang Hailin
Published: December 2020

A prospective bisulfite-free strategy based on a one-pot reaction was developed to sequence 5hmC directly.
Fluorogenic probes for mitochondria and lysosomes via intramolecular photoclick reaction
Authors: Liu Song , Su Han , Bu Lingli , Yan Jiangyu , Li Guorui , Huang Jing
Published: December 2020

Probes based on the intramolecular tetrazole-ene photo-click reaction were developed for the in situ fluorescence imaging of mitochondria and lysosomes in living cells.
Multiparameter single-particle motion analysis for homogeneous digital immunoassay
Authors: Akama Kenji , Noji Hiroyuki
Published: December 2020

Digital homogeneous non-enzymatic immunosorbent assay (digital Ho-Non ELISA) is a new class of digital immunoassay. In this paper, we developed a multiparameter single-particle motion analysis method for a highly sensitive digital Ho-Non ELISA.
Label-free Raman mapping of saturated and unsaturated fatty acid uptake, storage, and return toward baseline levels in macrophages
Authors: Sugiyama Takeshi , Hobro Alison J. , Pavillon Nicolas , Umakoshi Takayuki , Verma Prabhat , Smith Nicholas
Published: December 2020

We use Raman imaging and analysis to evaluate the effects of different fatty acids following their uptake in macrophages, evaluating the fatty acid dynamics, endogenous cellular behavior and metabolism.
Protein-templated gold nanoclusters as specific bio-imaging probes for the detection of Hg(ii) ions in in vivo and in vitro systems: discriminating between MDA-MB-231 and MCF10A cells
Authors: Chakraborty Subhajit , Nandy Atanu , Ghosh Subhadip , Das Nirmal Kumar , Parveen Sameena , Datta Sunando , Mukherjee Saptarshi
Published: December 2020

Sub-nanomolar selective detection of Hg(ii) ions by protein (Human Serum Albumin, HSA) templated gold nanoclusters (AuNCs), both in in vitro as well as in vivo environments and specific endocytose behaviour towards breast cancer (BC) cell lines.
Feasibility of discrimination of gall bladder (GB) stone and GB polyp using voltage-applied SERS measurement of bile juice samples in conjunction with two-trace two-dimensional (2T2D) correlation analysis
Authors: Vu Tung Duy , Sohng Woosuk , Jang Eunjin , Choi Dongho , Chung Hoeil
Published: December 2020

Voltage-applied SERS measurement of bile juice in conjunction with two-trace two-dimensional (2T2D) correlation analysis was demonstrated as a potential tool to enhance discrimination of GB stone and GB polyp.
A novel signal amplified electrochemiluminescence biosensor based on MIL-53(Al)@CdS QDs and SiO2@AuNPs for trichlorfon detection
Authors: Feng Defen , Wei Fucun , Wu Yeyu , Tan Xuecai , Li Fang , Lu Yongkuai , Fan Gaochao , Han Heyou
Published: December 2020

An ultrasensitive electrochemiluminescence (ECL) biosensor was developed based on MIL-53(Al)@CdS QDs and SiO2@AuNPs for trichlorfon detection.
Sweet potato derived three-dimensional carbon aerogels with a hierarchical meso–macroporous and branching nanostructure for electroanalysis
Authors: Hei Yashuang , Liu Jingju , Bi Yanni , Bai Jing , Hu Zongqian , Ma Chongbo , Liu Jian , Zhou Ming
Published: December 2020

In this paper, sweet potatoes (Ipomoea batatas) are used as low-cost precursors to synthesize carbon aerogels with a hierarchical meso–macroporous and branching nanostructure (HMM-BNCA) for electroanalysis.
Validation of chemometric-assisted single-drop microextraction based on sustainable solvents to analyze polyaromatic hydrocarbons in water samples
Authors: Mehravar Amir , Feizbakhsh Alireza , Mohsen Sarafi Amir Hosein , Konoz Elaheh , Faraji Hakim
Published: December 2020

Chemometric and statistic approaches were applied to optimize and validate headspace-single drop microextraction-based deep eutectic solvents combined with gas chromatography-mass spectrometry.
dsDNA-templated fluorescent copper nanoparticles for the detection of lipopolysaccharides
Authors: N. K. Radhika , Gorthi Sai Siva
Published: December 2020

A label-free fluorescence assay utilizing aptamers and the interference synthesis of dsDNA-templated copper nanoparticles is proposed for the detection of lipopolysaccharides.
Total phosphorus determination in eutrophic tropical river sediments by laser-induced breakdown spectroscopy techniques
Authors: Pereira de Morais Carla , Nicolodelli Gustavo , Corso Mitsuyuki Milene , Gaioso da Silva Kleydson Stênio , Mauad Frederico Fábio , Mounier Stéphane , Marcondes Bastos Pereira Milori Débora
Published: December 2020

Total phosphorus (TP) in sediments is an important chemical variable in the study of the extent of eutrophication in water bodies.
A redox modulated fluorescence nanoplatform for the detection of alkaline phosphatase activity with fluorescent polydopamine nanoparticles
Authors: Tian Jing-Xuan , Fang Yan-Zhao , Yu Rui , Zhang Zi-Yan , Zhuo Yan-Tong , He Jia-Yu , Wu Shuang , Xiao Qiang , Kong Xiang-Juan
Published: December 2020

Herein, we simply synthesized intrinsic fluorescent polydopamine nanoparticles (PDA NPs) in sodium hydroxide solution (NaOH, pH 11), and constructed a new fluorescence nanoplatform for the detection of alkaline phosphatase (ALP) using PDA NPs as an effective signal reporter.
A multi-effective and long-acting immunotherapy through one single hydrogel based injection
Authors: Wang Manyu , Cheng Xinyan , Luo Lin , Liu Yu , Cao Fei , Zhao Siyu , Peng Haichuan , Hong Can , Jin Liguo , Deng Libin , Xin Hongbo , Wang Xiaolei
Published: December 2020

A dual-effective (photothermal and immune) therapy employing gold nanorods (AuNRs) with a drug (two macrophage migration inhibitory factor (MIF) inhibitors) sustained release hydrogel was designed in this paper.
Significant promotion effect of the rutile phase on V2O5/TiO2 catalysts for NH3-SCR
Authors: Lian Zhihua , Deng Hua , Xin Shaohui , Shan Wenpo , Wang Qiang , Xu Jun , He Hong
Published: December 2020

High rutile content and low specific surface area of the vanadia-based catalysts contribute to an excellent NH3-SCR activity.
TMSCFX2 (X = Cl, Br) as halofluorocarbene sources for the synthesis of halofluorocyclopropanes
Authors: Chen Dingben , Fan Zili , Huang Ling , Gao Kaili , Xiao Pan , Ni Chuanfa , Hu Jinbo
Published: December 2020

The [2+1] cycloaddition reactions of novel halofluorocarbene reagents [Me3SiCFX2 (X = Cl, Br)] with alkenes have been disclosed.
Transition metal catalyzed asymmetric multicomponent reactions of unsaturated compounds using organoboron reagents
Authors: Kanti Das Kanak , Manna Samir , Panda Santanu
Published: December 2020

Transition metal-catalyzed asymmetric multicomponent reactions using organoboron compounds have been utilized extensively for C–B, C–C, and other bond-forming reactions. This feature article highlights the important discoveries in this topic.
Light-mediated chiroptical switching of an achiral foldamer host in presence of a carbohydrate guest
Authors: Pramanik Susnata , Kauffmann Brice , Hecht Stefan , Ferrand Yann , Huc Ivan
Published: December 2020

A chiral guest induces opposite helix handedness in the two states of a photoswitchable host.
Photo-tethered molecular beacons for superior light-induction
Authors: Klimek Robin , Wang Mantian , McKenney Vivien R. , Schuman Erin M. , Heckel Alexander
Published: December 2020

Photolabile circularization of molecular beacons via backbone phosphates leads to superior probes to study spatiotemporal aspects of RNA in cells.
Creation of active water-splitting photocatalysts by controlling cocatalysts using atomically precise metal nanoclusters
Authors: Kawawaki Tokuhisa , Kataoka Yuki , Ozaki Shuhei , Kawachi Masanobu , Hirata Momoko , Negishi Yuichi
Published: December 2020

This feature article describes our previous efforts for creating active water-splitting photocatalysts by using atomically precise metal nanoclusters as cocatalysts.
Advanced liquid electrolytes enable practical applications of high-voltage lithium–metal full batteries
Authors: Mao Shulan , Wu Qian , Ma Fuyuan , Zhao Yu , Wu Tian , Lu Yingying
Published: December 2020

To realize practical applications of HVLMBs, the stable CEI and SEI is prerequisite. The relationship between electrolyte design, interphase engineering and the electrochemical performance of HVLMBs is analyzed in this review.
Alkene homologation via visible light promoted hydrophosphination using triphenylphosphonium triflate
Authors: Levin Vitalij V. , Dilman Alexander D.
Published: December 2020

A hydrophosphination reaction of alkenes with triphenylphosphonium triflate under photocatalytic conditions is described.
Designing high performance conjugated materials for photovoltaic cells with the aid of intramolecular noncovalent interactions
Authors: Liu Yahui , Song Jinsheng , Bo Zhishan
Published: December 2020

This review summarizes the recent progress in high performance photovoltaic materials with the aid of intramolecular noncovalent interactions.
Real-time imaging of alkaline phosphatase activity of diabetes in mice via a near-infrared fluorescent probe
Authors: Wang Wen-Xin , Jiang Wen-Li , Guo Hong , Li Yongfei , Li Chun-Yan
Published: December 2020

A novel water-soluble near-infrared fluorescent probe named QX-P with simple synthesis is developed for detecting ALP. The probe can not only visualize ALP activity in four cell lines, but also real-time image ALP activity of diabetes in mice.
A nickel oxide-decorated in situ grown 3-D graphitic forest engrained carbon foam electrode for microbial fuel cells
Authors: Singh Shiv , Pophali Amol , Omar Rishabh Anand , Kumar Rajeev , Kumar Pradip , Mondal Dehi Pada , Pant Deepak , Verma Nishith
Published: December 2020

Carbon foam was used as a substrate for NiO and growing carbon nanofibers. The synthesized NiO-CNF-CF electrode was successfully used as an efficient electrode for a microbial fuel cell.
Near-field engineering for boosting the photoelectrochemical activity to a modal strong coupling structure
Authors: Cao Yanfeng , Shi Xu , Oshikiri Tomoya , Zu Shuai , Sunaba Yuji , Sasaki Keiji , Misawa Hiroaki
Published: December 2020

The near field was tailored to be enhanced at the three-phase boundary of Au-NPs/TiO2/H2O for efficient water oxidation.
Glycolipid nanotube templates for the production of hydrophilic/hydrophobic and left/right-handed helical polydiacetylene nanotubes
Authors: Kameta Naohiro , Ding Wuxiao , Masuda Mitsutoshi
Published: December 2020

Encapsulation and preorganization of diacetylene monomers in glycolipid nanotube templates leads to the production of hydrophilic/hydrophobic and left/right-handed helical polydiacetylene nanotubes.
An ESIPT-induced NIR fluorescent probe to visualize mitochondrial sulfur dioxide during oxidative stress in vivo
Authors: Ren Haixian , Huo Fangjun , Wu Xia , Liu Xiaogang , Yin Caixia
Published: December 2020

An ESIPT-induced NIR fluorescent probe can visualize mitochondrial sulfur dioxide during oxidative stress in vivo.
Synthesis of functionalized copillar[4+1]arenes and rotaxane as heteromultivalent scaffolds
Authors: Chen Wenzhang , Mohy EI Dine Tharwat , Vincent Stéphane P.
Published: December 2020

Copillar[4+1]arenes and their corresponding rotaxanes designed as heteromultivalent scaffolds were efficiently assembled via orthogonal couplings with a series of biologically relevant ligands.
Design of size-controlled Au nanoparticles loaded on the surface of ZnO for ethanol detection
Authors: Li Jianpeng , Yang Yifan , Wang Qiao , Cheng Xu , Luo Yibing , An Beixi , Bai Jinglong , Wang Yanrong , Xie Erqing
Published: December 2020

Schematic diagram of the reaction mechanism of the sensor in air and ethanol.
Sophisticated dual-discontinuity periodic bands of poly(nonamethylene terephthalate)
Authors: Tu Chien-Hua , Woo Eamor M. , Nagarajan Selvaraj , Lugito Graecia
Published: December 2020

Crystallized poly(nonamethylene terephthalate) (PNT) displays mirror-image and Fermat's-spiral ring-banded spherulites, respectively.
Influence of polymer binder on the performance of diF-TES-ADT based organic field effect transistor
Authors: Salzillo Tommaso , D'Amico Francesco , Montes Nieves , Pfattner Raphael , Mas-Torrent Marta
Published: December 2020

The presented work concerns the study of solution sheared organic thin film transistors based on a 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophene (diF-TES-ADT) polymer blend.
Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation
Authors: Min Xue , Tian Hong-rui , Li Ming , Tian Di
Published: December 2020

Three new compounds with novel structures were prepared from cobalt 318, among which, 0-dimensional structural compound 1 shows a higher proton conductivity.
Microstructural changes caused by Ba and Pr doping in nanosized Bi2Ce2O7 leading to interesting optical, magnetic, and catalytic properties
Authors: Uniyal Shrishti , Atri Shalu , Uma Sitharaman , Nagarajan Rajamani
Published: December 2020

The microstructural changes arising out of the inclusion of electropositive Ba2+ and praseodymium capable of showing variable valences in Bi2Ce2O7 have been correlated with the optical, magnetic, and catalytic properties.
Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture
Authors: Kornyakov Ilya V. , Tyumentseva Olga S. , Krivovichev Sergey V. , Tananaev Ivan G. , Gurzhiy Vladislav V.
Published: December 2020

Fourteen compounds belonging to the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 family have been synthesized. The comparison of all the compounds of this family allows assessment of the influence of isomorphic substitutions on the structure architecture.
Isoreticular chemistry of scandium analogues of the multicomponent metal–organic framework MIL-142
Authors: Prasad Ram R. R. , Pleass Charlotte , Rigg Amber L. , Cordes David B. , Lozinska Magdalena M. , Georgieva Veselina M. , Hoffmann Frank , Slawin Alexandra M. Z. , Wright Paul A.
Published: December 2020

MIL-142(Sc) is prepared and the limits of the isoreticular substitution of each linker type are explored and characterised by single-crystal XRD.
Thermoelectric properties of GaN with carrier concentration modulation: an experimental and theoretical investigation
Authors: Kumar Ashish , Singh Saurabh , Patel Ashutosh , Asokan K. , Kanjilal D.
Published: December 2020

The present work investigates the less explored thermoelectric properties of the n-type GaN semiconductor by combining both experimental and computational tools.
Biamphiphilic ionic liquid based aqueous microemulsions as an efficient catalytic medium for cytochromec
Authors: Kaur Manvir , Kaur Harmandeep , Singh Manpreet , Singh Gagandeep , Kang Tejwant Singh
Published: December 2020

BAIL-water nano-interfaces of reverse microemulsions as a better catalytic reactor for bio-catalysis.
Magnetic deflection of neutral sodium-doped ammonia clusters
Authors: Barnes J. V. , Beck M. , Hartweg S. , Luski A. , Yoder B. L. , Narevicius J. , Narevicius E. , Signorell R.
Published: December 2020

A new Stern–Gerlach setup elucidates the spin relaxation dynamics of small weakly-bound Na(NH3)n clusters.
Atomic-scale analysis of the physical strength and phonon transport mechanisms of monolayer β-bismuthene
Authors: Chowdhury Emdadul Haque , Rahman Md. Habibur , Bose Pritom , Jayan Rahul , Islam Md Mahbubul
Published: December 2020

Bismuthene demonstrates substantially lower thermal conductivity as well as tensile strength.