bluuebunny/crossref_metadata_2025 huggingface dataset:
MORC3, a novel MIWI2 association partner, as an epigenetic regulator of piRNA dependent transposon silencing in male germ cells
Authors: Kojima-Kita Kanako , Kuramochi-Miyagawa Satomi , Nakayama Manabu , Miyata Haruhiko , Jacobsen Steven E. , Ikawa Masahito , Koseki Haruhiko , Nakano Toru
Published: October 2021

The PIWI (P-element-induced wimpy testis)-interacting-RNA (piRNA) pathway plays a crucial role in the repression of TE (transposable element) expression via de novo DNA methylation in mouse embryonic male germ cells. Various proteins, including MIWI2 are involved in the process. TE silencing is ensured by piRNA-guided MIWI2 that recruits some effector proteins of the DNA methylation machinery to TE regions. However, the molecular mechanism underlying the methylation is complex and has not been fully elucidated. Here, we identified MORC3 as a novel associating partner of MIWI2 and also a nuclear effector of retrotransposon silencing via piRNA-dependent de novo DNA methylation in embryonic testis. Moreover, we show that MORC3 is important for transcription of piRNA precursors and subsequently affects piRNA production. Thus, we provide the first mechanistic insights into the role of this effector protein in the first stage of piRNA biogenesis in embryonic TE silencing mechanism.
Novel﻿ markers to early detect degradation on cellulose nitrate-based heritage at the submicrometer level using synchrotron UV–VIS multispectral luminescence
Authors: Neves Artur , Ramos Ana Maria , Callapez Maria Elvira , Friedel Robert , Réfrégiers Matthieu , Thoury Mathieu , Melo Maria João
Published: October 2021

Cellulose nitrate (CN) is an intrinsically unstable material that puts at risk the preservation of a great variety of objects in heritage collections, also posing threats to human health. For this reason, a detailed investigation of its degradation mechanisms is necessary to develop sustainable conservation strategies. To investigate novel probes of degradation, we implemented deep UV photoluminescence micro spectral-imaging, for the first time, to characterize a corpus of historical systems composed of cellulose nitrate. The analysis of cinematographic films and everyday objects dated from the nineteenth c./early twentieth c. (Perlov's collection), as well as of photo-aged CN and celluloid references allowed the identification of novel markers that correlate with different stages of CN degradation in artworks, providing insight into the role played by plasticizers, fillers, and other additives in stability. By comparison with photoaged references of CN and celluloid (70% CN and 30% camphor), it was possible to correlate camphor concentration with a higher rate of degradation of the cinematographic films. Furthermore, the present study investigates, at the sub-microscale, materials heterogeneity that correlates to the artworks' history, associating the different emission profiles of zinc oxide to specific color formulations used in the late nineteenth and early twentieth centuries.
General decline in the diversity of the airborne microbiota under future climatic scenarios
Authors: Ontiveros Vicente J. , Cáliz Joan , Triadó-Margarit Xavier , Alonso David , Casamayor Emilio O.
Published: October 2021

Microorganisms attached to aerosols can travel intercontinental distances, survive, and further colonize remote environments. Airborne microbes are influenced by environmental and climatic patterns that are predicted to change in the near future, with unknown consequences. We developed a new predictive method that dynamically addressed the temporal evolution of biodiversity in response to environmental covariates, linked to future climatic scenarios of the IPCC (AR5). We fitted these models against a 7-year monitoring of airborne microbes, collected in wet depositions. We found that Bacteria were more influenced by climatic variables than by aerosols sources, while the opposite was detected for Eukarya. Also, model simulations showed a general decline in bacterial richness, idiosyncratic responses of Eukarya, and changes in seasonality, with higher intensity within the worst-case climatic scenario (RCP 8.5). Additionally, the model predicted lower richness for airborne potential eukaryotic (fungi) pathogens of plants and humans. Our work pioneers on the potential effects of environmental variability on the airborne microbiome under the uncertain context of climate change.
Clinical parameters and biological markers associated with acute severe ocular complications in Stevens-Johnson syndrome and toxic epidermal necrolysis
Authors: Panpruk Rawiphan , Puangsricharern Vilavun , Klaewsongkram Jettanong , Rerknimitr Pawinee , Kittipibul Thanachaporn , Chongpison Yuda , Buranapraditkun Supranee
Published: October 2021

Stevens-Johnson syndrome (SJS) and toxic epidermal necrolysis (TEN) are severe cutaneous adverse drug reactions with high mortality rates. Its sequelae, such as blindness, persist even after recovery. Patients with SJS/TEN should be accurately diagnosed and receive appropriate treatment as soon as possible. Therefore, identifying the factors for severity prediction is necessary. We aimed to clarify the clinical parameters and biological markers that can predict acute severe ocular complications (SOCs) in SJS/TEN. This retrospective cross-sectional study enrolled 47 patients with SJS/TEN who were divided into two groups according to ocular severity at acute onset: non-severe ocular complications group (n = 27) and severe ocular complications group (n = 20). Multivariate logistic regression analysis revealed that disease severity (body surface area detachment ≥ 10%) was a predictive factor for acute SOCs, and older age (≥ 60 years) was marginally significantly predictive of SOCs. Serum biomarker levels of S100A8/A9 and granulysin were marginally significant and tended to increase in the SOC group. Therefore, during the early acute stage, focusing on disease severity, patient age, and serum inflammatory biomarkers (S100A8/A9 and granulysin) might help predict SOC progression in patients with SJS/TEN who need prompt and aggressive ocular management to prevent severe ocular sequelae.
Imaging characteristics of young age breast cancer (YABC) focusing on pathologic correlation and disease recurrence
Authors: Lee Jeongmin , Kim Sung Hun , Kang Bong Joo , Lee Ahwon , Park Woo-Chan , Hwang Jinwoo
Published: October 2021

The purpose of this study is to investigate imaging characteristics of young age breast cancer (YABC) focusing on correlation with pathologic factors and association with disease recurrence. From January 2017 to December 2019, patients under 40 years old who were diagnosed as breast cancer were enrolled in this study. Morphologic analysis of tumor and multiple quantitative parameters were obtained from pre-treatment dynamic contrast enhanced breast magnetic resonance imaging (DCE-MRI). Tumor-stroma ratio (TSR), microvessel density (MVD) and endothelial Notch 1 (EC Notch 1) were investigated for correlation with imaging parameters. In addition, recurrence associated factors were assessed using both clinico-pathologic factors and imaging parameters. A total of 53 patients were enrolled. Several imaging parameters derived from apparent diffusion coefficient (ADC) histogram showed negative correlation with TSR; and there was negative correlation between MVD and Ve in perfusion analysis. There were nine cases of recurrences with median interval of 16 months. Triple negative subtype and low CD34 MVD positivity in Notch 1 hotspots showed significant association with tumor recurrence. Texture parameters reflecting tumor sphericity and homogeneity were also associated with disease recurrence. In conclusion, several quantitative MRI parameters can be used as imaging biomarkers for tumor microenvironment and can predict disease recurrence in YABC.
The improvement of mechanical properties of conventional concretes using carbon nanoparticles using molecular dynamics simulation
Authors: Zhao Liang , Nasution Mahyuddin K. M. , Hekmatifar Maboud , Sabetvand Roozbeh , Kamenskov Pavel , Toghraie Davood , Alizadeh As’ad , Iran Teimour Ghahari
Published: October 2021

In the present study, the improvement of mechanical properties of conventional concretes using carbon nanoparticles is investigated. More precisely, carbon nanotubes are added to a pristine concrete matrix, and the mechanical properties of the resulting structure are investigated using the molecular dynamics (MD) method. Some parameters such as the mechanical behavior of the concrete matrix structure, the validation of the computational method, and the mechanical behavior of the concrete matrix structure with carbon nanotube are also examined. Also, physical quantities such as a stress–strain diagram, Poisson's coefficient, Young's modulus, and final strength are calculated and reported for atomic samples under external tension. From a numerical point of view, the quantities of Young's modulus and final strength are converged to 35 GPa and 35.38 MPa after the completion of computer simulations. This indicates the appropriate effect of carbon nanotubes in improving the mechanical behavior of concrete and the efficiency of molecular dynamics method in expressing the mechanical behavior of atomic structures such as concrete, carbon nanotubes and composite structures derived from raw materials is expressed that can be considered in industrial and construction cases.
Analysis of long-term strategies of riparian countries in transboundary river basins
Authors: Mirzaei-Nodoushan Fahimeh , Bozorg-Haddad Omid , Singh Vijay P. , Loáiciga Hugo A.
Published: October 2021

Transboundary river basins give rise to complex water-sharing decision making that can be analyzed as a game in the sense of dynamic game theory, as done in this work. The sharing of transboundary water resources depends on the long-term shifting interactions between upstream and downstream countries, which has received limited research attention in the past. The water-sharing strategy of a riparian country depends on the strategies of other countries over time. This paper presents an evolutionary game method to analyze the long-term water-sharing strategies of countries encompassing transboundary river basins over time. The method analyzes the evolutionary strategies of riparian countries and investigates evolutionary stable strategies (ESSs) considering the payoff matrix. The evolutionary game method is applied to a river basin shared by three countries assuming two types of benefits and one type of cost to countries as decision variables of a game that reflects water use, economic and political gains, and socio-economic losses of countries. Numerical examples illustrate the strategies resulting from the evolutionary game processes and the role of several parameters on the interaction between riparian countries. The countries’ strategies are analyzed for several levels of benefits and costs, and the convergence of the strategies to a stable point is assessed. Results demonstrate the role that the upstream country’s potential benefits and the cost of conflict (i.e., non-cooperation) to other countries has on reaching a stable point in the game. This work’s results show the potential benefit to the upstream country under cooperative strategy must exceed its benefits from water use under non-cooperative strategy to gain the full stable cooperation of downstream countries. This work provides a method to resolve water-sharing strategies by countries sharing transboundary river basins and to evaluate the implications of cooperation or non-cooperation.
In silico and multi-spectroscopic analyses on the interaction of 5-amino-8-hydroxyquinoline and bovine serum albumin as a potential anticancer agent
Authors: Ruankham Waralee , Phopin Kamonrat , Pingaew Ratchanok , Prachayasittikul Supaluk , Prachayasittikul Virapong , Tantimongcolwat Tanawut
Published: October 2021

5-Amino-8-hydroxyquinoline (5A8HQ), an amino derivative of 8-hydroxyquinoline, has become a potential anticancer candidate because of its promising proteasome inhibitory activity to overcome and yet synergize bortezomib for fighting cancers. Therefore, in this study, its physicochemical properties and interaction activities with serum protein have extensively been elucidated by both in vitro and in silico approaches to fulfill the pharmacokinetic and pharmacodynamic gaps. 5A8HQ exhibited the drug-likeness properties, where oral administration seems to be a route of choice owing to its high-water solubility and intestinal absorptivity. Multi-spectroscopic investigations suggested that 5A8HQ tended to associate with bovine serum albumin (BSA), a representative of serum protein, via the ground-state complexation. It apparently bound in a protein cleft between subdomains IIA and IIIA of BSA as suggested by the molecular docking and molecular dynamics simulations. The binding was mainly driven by hydrogen bonding and electrostatic interactions with a moderate binding constant at 104 M−1, conforming with the predicted free fraction in serum at 0.484. Therefore, 5A8HQ seems to display a good bioavailability in plasma to reach target sites and exerts its potent pharmacological activity. Likewise, serum albumin is a good candidate to be reservoir and transporter of 5A8HQ in the circulatory system.
Dynamic alterations in monocyte numbers, subset frequencies and activation markers in acute and convalescent COVID-19 individuals
Authors: Rajamanickam Anuradha , Kumar Nathella Pavan , Pandiarajan Arul Nancy , Selvaraj Nandhini , Munisankar Saravanan , Renji Rachel Mariam , Venkatramani Vijayalakshmi , Murhekar Manoj , Thangaraj Jeromie W. V. , Kumar Muthusamy Santhosh , Kumar C. P. Girish , Bhatnagar Tarun , Ponnaiah Manickam , Sabarinathan R. , Saravanakumar V. , Babu Subash
Published: October 2021

Monocytes are thought to play an important role in host defence and pathogenesis of COVID-19. However, a comprehensive examination of monocyte numbers and function has not been performed longitudinally in acute and convalescent COVID-19. We examined the absolute counts of monocytes, the frequency of monocyte subsets, the plasma levels of monocyte activation markers using flowcytometry and ELISA in seven groups of COVID-19 individuals, classified based on days since RT-PCR confirmation of SARS-CoV2 infection. Our data shows that the absolute counts of total monocytes and the frequencies of intermediate and non-classical monocytes increases from Days 15–30 to Days 61–90 and plateau thereafter. In contrast, the frequency of classical monocytes decreases from Days 15–30 till Days 121–150. The plasma levels of sCD14, CRP, sCD163 and sTissue Factor (sTF)—all decrease from Days 15–30 till Days 151–180. COVID-19 patients with severe disease exhibit higher levels of monocyte counts and higher frequencies of classical monocytes and lower frequencies of intermediate and non-classical monocytes and elevated plasma levels of sCD14, CRP, sCD163 and sTF in comparison with mild disease. Thus, our study provides evidence of dynamic alterations in monocyte counts, subset frequencies and activation status in acute and convalescent COVID-19 individuals.
A modified animal model of hepatic regeneration induced by hilar bile duct ligation
Authors: Li Tao , Chai Yichao , Chang Pengkang , Reng Fenggang , Xue Zhao , Zhang Hongke , Lv Yi , Hu Liangshuo
Published: October 2021

Mechanisms of the proliferation of liver are mainly studied in animal model of liver regeneration after partial hepatectomy (PH). However, the PH model involves complex regeneration mechanisms, including hemodynamic factors, cytokines, growth factors, and metabolites. Among liver metabolites, bile acid (BA) is a key signaling molecule that regulates liver regeneration. This study aimed to establish a new type of rapid liver hyperplasia model induced mainly by bile acid pathway through hepatoenteral circulation with hilar bile duct ligation (HBDL). We first established the HBDL model by ligating the bile duct of all hepatic lobes but the right lateral lobe in rabbits and compared with the PVL model and sham operation group. Changes in the liver lobe and hemodynamics were observed. Liver function and the bile acid level were also analyzed. Then we verified the HBDL model in mice. Liver function and the levels of bile acids and cytokines were tested. The protein and mRNA levels of FXR, FGF15, CYP7A1 and FoxM1b in liver tissue were also analyzed. After hilar ligation of the biliary tract, the unligated liver lobes proliferated significantly. Compared with those in the sham group, the volume and weight of the unligated right lateral lobe of the liver in the HBDL group and the PVL group increased significantly (P < 0.05). Transient liver function impairment occurred both in the HBDL group and PVL group in the rabbit model as well as the mouse models. The bile acid levels in the HBDL groups of the rabbit model and mouse model increased significantly within first week after surgery (P < 0.05). The immunohistochemistry results confirmed the proliferation of hepatocytes in the unligated liver lobe. Compared with those in the sham group, the levels of FXR, FGF15 and FoxM1b in the HBDL group were significantly increased (P < 0.05), while the expression of CYP7A1 was inhibited. Compared with those in the HBDL group, the postoperative hemodynamic changes in the PVL group were significant (P < 0.05). The levels of IL-6 and TNF-α in the HBDL group were higher than those in the sham group. The HBDL model is simple to establish and exhibits good surgical tolerance. The model has definite proliferative effect and strong specificity of bile acid pathway. This is an ideal animal model to study the mechanism of liver regeneration through bile acid pathway.
Effects of virtual reality v. biophilic environments on pain and distress in oncology patients: a case-crossover pilot study
Authors: Ashley Verzwyvelt L. , McNamara Ann , Xu Xiaohui , Stubbins Renee
Published: October 2021

This pilot study aimed to determine if a biophilic Green Therapy or Virtual Reality environment can decrease an oncology patient’s pain and distress while receiving chemotherapy. A case-crossover pilot study was conducted in a comprehensive cancer infusion center. 33 participants with breast, gynecologic, gastrointestinal, pancreatic and prostate cancers were all included in three rooms in a random order at different cycles: control room, Green Therapy room, and Virtual Reality room to receive chemotherapy, respectively. Participants’ pain, distress, heart rate, blood pressure, and saliva cortisol were measured before and after infusion in each room. No statistical significance differences were shown in the changes of heart rate, systolic, or diastolic blood pressure, saliva cortisol, pain, or distress before and after infusion between the control, Green Therapy, and Virtual Reality rooms. However, more patients reported the experience as “fun” and “enjoyable” when they were in Green Therapy or Virtual reality room as compared to in the control room. Additionally, since participating in the study, 14 patients reported spending at least 30 min or more outside in nature. In this study, we found that patients’ heart rate, blood pressure, and self-reported distress levels were reduced after each biophilic intervention although results are not statistically significant. The study also suggested that biophilic interventions are safe and feasible and may complement the standard of care for oncology patients.
In vitro impact preliminary assessment of airborne particulate from metalworking and woodworking industries
Authors: Pavlovska Ilona , Ramata-Stunda Anna , Martinsone Zanna , Boroduskis Martins , Patetko Liene , Martinsone Inese , Seile Anita , Vanadzins Ivars
Published: October 2021

Inhalation is the main route of exposure to airborne pollutants. To evaluate the safety and assess the risks of occupational hazards different testing approaches are used. 3D airway epithelial tissues allow to mimic exposure conditions in vitro, generates human-relevant toxicology data, allows to elucidate the mode of action of pollutants. Gillian3500 pumps were used to collect the airborne particulate from woodworking and metalworking environments. EpiAirway tissues were used to model half working day (4 h), full working day (8 h), and 3 working day exposures to occupational pollutants. Tissue viability was assessed using an MTT assay. For preliminary assessment, RT-qPCR analyses were performed to analyze the expression of gelsolin, caspase-3, and IL-6. Tissue morphology was assessed by hematoxylin/eosin staining. An effect on the proliferation of lung epithelial cell line A549 was assessed. Acute exposure to workspace pollutants slightly affected tissue viability and did not change the morphology. No inhibiting effect was observed on the proliferation of A549 cells. Preliminary analysis showed that both types of particles suppressed the expression of gelsolin, with the effect of metalworking samples being more pronounced. A slight reduction in caspase-3 expression was observed. Particles from metalworking suppressed IL-6 expression.
Sidedness determines clinical characteristics and survival outcomes in medullary adenocarcinoma of the colon
Authors: Blakely Andrew M. , Nelson Rebecca A. , Hamilton Stanley A. , Lai Lily L.
Published: October 2021

Colon medullary adenocarcinoma (MAC) is a rare histologic subtype. Clinical presentation and cancer outcomes of MAC, compared to colon adenocarcinoma (AC), remain incompletely described. Annual age-adjusted incidence rates were computed using Surveillance, Epidemiology, and End Results (2002–2017). A cohort analysis using the National Cancer Database (2010–2016) compared patient characteristics in an unmatched dataset and prognostic characteristics in a 1:1 matched subset. Reported annual age-adjusted incidence of MAC has significantly increased, with an average annual percent change (APC) increase of 23.8% (95% CI: 19.2–28.6); concurrent AC incidence declined (APC: − 2.8, 95% CI: − 3.1 to − 2.8). Analyses of 1018 MAC and 210,784 AC unmatched patients showed that MAC patients were more often older, female, and white, with higher disease stage, poorly-differentiated tumors, right-sided laterality, and lymphovascular invasion (all p < 0.0001). Among those with known microsatellite status, instability was more prevalent among MAC than AC patients (82% vs. 24%, p < 0.0001). Multivariate analyses of the matched dataset revealed that MAC histology was not independently associated with overall survival. However, when stratifying by laterality, left-sided MAC was associated with shorter survival when compared to right-sided MAC (HR 1.66, 95% CI 1.16–2.38) and right-sided AC (HR 1.54, 95% CI 1.12–2.12). The reported incidence of MAC is increasing, in contrast to the declining incidence of AC. MAC clinical and molecular features are distinct from AC and likely account for outcome differences. Overall, left-sided MAC was associated with the shortest OS. Molecular profiling may improve treatment guidelines for MAC.
Two triterpenoids from Rubus fraxinifolius leaves and their tyrosinase and elastase inhibitory activities
Authors: Desmiaty Yesi , Hanafi Muhammad , Saputri Fadlina Chany , Elya Berna , Rifai Eko Aditya , Syahdi Rezi Riadhi
Published: October 2021

Numerous therapeutic compounds have been isolated from naturally abundant organic resources, which may offer economical and sustainable sources of compounds with safe and efficacious biological activities. In the cosmetics industry, natural compounds with anti-aging activities are eagerly sought. Thus, we prepared various extracts from Rubus fraxinifolius leaves and used enzyme inhibition assays to isolate compounds with protective effects against skin aging. Two triterpenoids were isolated from Rubus fraxinifolius Poir. leaves. The structures were characterized by spectroscopic analyses (LC-ESI-MS, 1D/2D NMR) and comparison to reported data. Compound 1 and 2 were determined as 2,3-O-ethyleneglycol, 19-hydroxyurs-12-en-23,28-dioic acid and 2,3-O-propanediol,19-hydroxyurs-12-en-28-oic acid. Methanol extract and isolates were assessed for their inhibitory effects on elastase and tyrosinase. Compounds 1 and 2 inhibited elastase with IC50 122.199 µg/mL and 98.22 µg/mL, and also inhibited tyrosinase with IC50 207.79 µg/mL and 221.51 µg/mL, respectively. The molecular docking proved that both compounds have affinities toward the enzymes.
The effects of human movements on urban climate over Eastern China
Authors: Wu Lingyun , Zhang Jingyong
Published: October 2021

We live on an urban planet with unprecedented human mobility. In this study, we collectively analyze ten large cities over densely populated Eastern China, and detect that mass people outflows during Spring Festival (SF) holiday significantly cool down urban climate expressed as urban heat island intensity variation particularly at the nighttime after minimizing the effects of other factors. We estimate that the average nighttime cooling effects of the ten large cities over Eastern China during the SF holiday relative to the nearby background period are 0.63 °C stronger during the 2000s than during the 1990s. The attribution analysis points to that the urban cooling effects are primarily caused by mass people outflows during the SF holiday. Our findings help to better understand the complex interactions of human population dynamics, urban development, and the environment, and may have important implications for promoting sustainable, people-centered, and resilient development of our urban planet.
Seasonality modulates wind-driven mixing pathways in a large lake
Authors: Fernández Castro Bieito , Bouffard Damien , Troy Cary , Ulloa Hugo N. , Piccolroaz Sebastiano , Sepúlveda Steiner Oscar , Chmiel Hannah E. , Serra Moncadas Lucas , Lavanchy Sébastien , Wüest Alfred
Published: October 2021

Turbulent mixing controls the vertical transfer of heat, gases and nutrients in stratified water bodies, shaping their response to environmental forcing. Nevertheless, due to technical limitations, the redistribution of wind-derived energy fuelling turbulence within stratified lakes has only been mapped over short (sub-annual) timescales. Here we present a year-round observational record of energy fluxes in the large Lake Geneva. Contrary to the standing view, we show that the benthic layers are the main locus for turbulent mixing only during winter. Instead, most turbulent mixing occurs in the water-column interior during the stratified summer season, when the co-occurrence of thermal stability and lighter winds weakens near-sediment currents. Since stratified conditions are becoming more prevalent –possibly reducing turbulent fluxes in deep benthic environments–, these results contribute to the ongoing efforts to anticipate the effects of climate change on freshwater quality and ecosystem services in large lakes.
Older adults across the globe exhibit increased prosocial behavior but also greater in-group preferences
Authors: Cutler Jo , Nitschke Jonas P. , Lamm Claus , Lockwood Patricia L.
Published: October 2021

Population aging is a global phenomenon with substantial implications across society1,2. Prosocial behaviors—actions that benefit others—promote mental and physical health across the lifespan3,4 and can save lives during the COVID-19 pandemic. We examined whether age predicts prosociality in a preregistered global study (46,576 people aged 18–99 across 67 countries) using two acutely relevant measures: distancing during COVID-19 and willingness to donate to hypothetical charities. Age positively predicted prosociality on both measures, with increased distancing and donations among older adults. However, older adults were more in-group focused than younger adults in choosing who to help, making larger donations to national over international charities and reporting increased in-group preferences. In-group preferences helped explain greater national over international donations. Results were robust to several control analyses and internal replication. Our findings have vital implications for predicting the social and economic impacts of aging populations, increasing compliance with public health measures and encouraging charitable donations.
A guide-tag system controlling client enrichment into Y15 peptide-based granules for an in-cell protein recruitment assay
Authors: Miki Takayuki , Hashimoto Masahiro , Nakai Taichi , Mihara Hisakazu
Published: October 2021

A series of guide-tags that can control the enrichment of client proteins into artificial scaffolds constituted by the self-assembling Y15 peptide tag facilitates the analysis of protein–protein interactions in living cells.
Configuring solid-state batteries to power electric vehicles: a deliberation on technology, chemistry and energy
Authors: Kong Long , Wang Liping , Zhu Jinlong , Bian Juncao , Xia Wei , Zhao Ruo , Lin Haibin , Zhao Yusheng
Published: October 2021

Solid-state batteries are configured by deliberation of technology and energy, with material chemistries and processing parameters necessary to target the requirements of the roadmap of future energy-dense and safe batteries.
Sterically controlled C–H alkenylation of pyrroles and thiophenes
Authors: Kang Eunsu , Jeon Ju Eun , Jeong Siyeon , Kim Hyun Tae , Joo Jung Min
Published: October 2021

Pd-catalyzed aerobic C–H alkenylations at the unhindered positions of N-alkylpyrroles and 3-substituted thiophenes are developed using a pyrazolonaphthyridine ligand.
Design, synthesis, and initial immunological evaluation of glycoconjugates based on saponin adjuvants and the Tn antigen
Authors: Fuentes Roberto , Aguinagalde Leire , Sacristán Nagore , Fernández-Tejada Alberto
Published: October 2021

Versatile chemical strategy for the development of novel conjugates based on streamlined saponin adjuvants covalently linked to a synthetic antigen (Tn) that induced moderate antibody responses in mice.
Effect of microsolvation on the mode specificity of the OH˙(H2O) + HCl reaction
Authors: Mallick Subhasish , Kumar Pradeep
Published: October 2021

The present study investigates the mode specificity in the microsolvated OH˙(H2O) + HCl reaction using on-the-fly direct dynamics simulation.
Assessing cathode property prediction via exchange-correlation functionals with and without long-range dispersion corrections
Authors: Long Olivia Y. , Sai Gautam Gopalakrishnan , Carter Emily A.
Published: October 2021

Exchange-correlation models, including Hubbard and van der Waals corrections, are tested for predicting battery properties in layered lithium intercalation oxides.
Dimethyltin(iv)-4,6-dimethyl-2-pyridylselenolate: an efficient single source precursor for the preparation of SnSe nanosheets as anode material for lithium ion batteries
Authors: Karmakar Gourab , Halankar Kruti K. , Tyagi Adish , Mandal B. P. , Wadawale A. P. , Kedarnath G. , Srivastava A. P. , Singh Vishal
Published: October 2021

Phase pure SnSe nanosheets, prepared from a novel molecular precursor [Me2Sn{2-SeC5H2(Me-4,6)2N}2] was employed as anode material in LIBs. The fabricated cell exhibits promising results with high specific capacity and reversible Li ion uptake.
Tailoring the electron density of cobalt oxide clusters to provide highly selective superoxide and peroxide species for aerobic cyclohexane oxidation
Authors: Gutiérrez-Tarriño Silvia , Gaona-Miguélez José , Oña-Burgos Pascual
Published: October 2021

Development of well-defined tetranuclear cobalt coordination compounds with modulable electron density as active and selective catalysts for aerobic cyclohexane oxidation.
Slow magnetic relaxation in high-coordinate Co(ii) and Fe(ii) compounds bearing neutral tetradentate ligands
Authors: Peng Min , Wu Xiao-Fan , Wang Li-Xin , Chen Si-Huai , Xiang Jing , Jin Xin-Xin , Yiu Shek-Man , Wang Bing-Wu , Gao Song , Lau Tai-Chu
Published: October 2021

7-coordinate Co(ii) compound has a very large positive D value (56.2 cm−1) with an effective spin-reversal barrier of Ueff = 100 K (71.4 cm−1). In contrast, the 8-coordinate Fe(ii) compound exhibits uniaxial magnetic anisotropy.
Giant and reversible low field magnetocaloric effect in LiHoF4 compound
Authors: Xie Huicai , Tian Lu , Chen Qi , Sun Hao , Gao Xinqiang , Li Zhenxing , Mo Zhaojun , Shen Jun
Published: October 2021

We provide a practical cryogenic magnetic refrigerant, polycrystalline LiHoF4, which undergoes a second-order phase transition below 2 K. The maximum magnetic entropy changes are 11 and 19 J kg−1 K−1 in field changes of 0.6 and 1.0 T, respectively.
Two chemically robust Cd(ii)-frameworks for efficient sensing of levofloxacin, benzaldehyde, and Fe3+ions
Authors: Su Yu-Qiao , Fu Lianshe , Cui Guang-Hua
Published: October 2021

Two robust Cd-MOFs can be used as sensitive multi-responsive sensors for levofloxacin, benzaldehyde, and Fe3+ions in water with excellent selectivity and recyclability. The quenching mechanisms of the two MOFs were investigated in detail.
Ethyl acetate extract of theMusa nanaflower inhibits osteoclastogenesis and suppresses NF-κB and MAPK pathways
Authors: Tang Min-Min , Chen Ying-Jie , Wu Jia-Ying , Amin Aftab , Zhou Xue-Ming , Jin Cai , Chen Guang-Ying , Yu Zhi-Ling
Published: October 2021

Effects of ethyl acetate extract (FFE-EA) of the Musa nana flower on the RANKL-stimulated osteoclastogenesis pathway.
Probing the secrets of hydrogen bonding in organic salt phase change materials: the origins of a high enthalpy of fusion
Authors: Piper Samantha L. , Forsyth Craig M. , Kar Mega , MacFarlane Douglas R. , Matuszek Karolina , Pringle Jennifer M.
Published: October 2021

We work towards a rational design process for organic salt phase change materials, using X-ray crystallography to probe the structure–property relationship between hydrogen bonding and the enthalpy of fusion in these materials.
Atomic layer deposition of vanadium oxide films for crystalline silicon solar cells
Authors: Costals Eloi Ros , Masmitjà Gerard , Almache Estefania , Pusay Benjamin , Tiwari Kunal , Saucedo Edgardo , Raj C. Justin , Kim Byung Chul , Puigdollers Joaquim , Martin Isidro , Voz Cristobal , Ortega Pablo
Published: October 2021

We have fabricated n-type silicon solar cells using ALD deposited vanadium oxide as the front transparent contact.
The system of self-consistent semi-correlations as one of the tools of cheminformatics for designing antiviral drugs
Authors: Toropov Andrey A. , Toropova Alla P. , Roncaglioni Alessandra , Benfenati Emilio
Published: October 2021

The development of antiviral agents against SARS-CoV-2 is necessary.
Aqueous media ultra-sensitive detection of antibiotics via highly stable luminescent 3D Cadmium-based MOF
Authors: Asad Muhammad , Wang Shan , Wang Qian-You , Li Lin-Ke , Anwar Muhammad Imran , Younas Ayesha , Zang Shuang-Quan
Published: October 2021

A novel Cd-based MOF shows high sensitivity (Ksv ∼ 106 M−1) and selectivity (μM level) towards antibiotics was presented.
Facilitating room-temperature oxygen ion migration via Co–O bond activation in cobaltite films
Authors: Wang Qian , Gu Youdi , Yin Siqi , Sun Yiming , Liu Wei , Zhang Zhidong , Pan Feng , Song Cheng
Published: October 2021

Based on Co–O bond activation via charge transfer from Au nanodots, the energy barrier of oxygen ion migration in perovskite SrCoO3−δ is dramatically decreased. Successive bias-free topotactic phase transformation from SrCoO3−δ to SrCoO2.5 is achieved at room-temperature.
β-Keto acids in asymmetric metal catalysis and organocatalysis
Authors: Qin Wei , Subhani Mahboob , Jiang Chunhui , Lu Hongfei
Published: October 2021

β-Keto acids: ideal ketone surrogates for diverse asymmetric nucleophilic addition reactions via a decarboxylative process.
Synthesis and pharmacological characterisation of arctigenin analogues as antagonists of AMPA and kainate receptors
Authors: Rečnik Lisa-Maria , Thatcher Robert J. , Mallah Shahida , Butts Craig P. , Collingridge Graham L. , Molnár Elek , Jane David E. , Willis Christine L.
Published: October 2021

The synthesis of a series of analogues of (−)-arctigenin is described and the novel spirocyclic compound 6c was found to act as a non-competitive antagonist.
Methanol as a formylating agent in nitrogen heterocycles
Authors: Xu Zhengbao , Zhang Lizhi
Published: October 2021

Methanol as a formylating agent in the C–H functionalization of N-heteroarenes.
Anion-induced thermoresponsiveness in cationic polycysteine and DNA binding
Authors: Anas Mahammad , Dinda Priyanka , Kar Mahuya , Mandal Tarun K.
Published: October 2021

This study describes the synthesis of an l-cysteine-based water-soluble cationic polypeptide, an investigation of its thermoresponsive behaviour in the presence of added anions and its polyplexation with DNA.
Golem: an algorithm for robust experiment and process optimization
Authors: Aldeghi Matteo , Häse Florian , Hickman Riley J. , Tamblyn Isaac , Aspuru-Guzik Alán
Published: October 2021

Numerous challenges in science and engineering can be framed as optimization tasks. Golem is an uncertain-input algorithm that ensures the reproducible performance of optimized experimental protocols and processes.
Plasticizer and catalyst co-functionalized PEDOT:PSS enables stretchable electrochemical sensing of living cells
Authors: Yan Jing , Qin Yu , Fan Wen-Ting , Wu Wen-Tao , Lv Song-Wei , Yan Li-Ping , Liu Yan-Ling , Huang Wei-Hua
Published: October 2021

A facile strategy for constructing stretchable sensors with excellent mechanical, electrochemical and biocompatible performance is developed, and in situ inducing and monitoring of stretch-evoked H2O2 release from cells has been successfully achieved.
A composite surface configuration towards improving cycling stability of Li-rich layered oxide materials
Authors: Shi Zhepu , Gu Qingwen , Yun Liang , Wei Zhining , Hu Di , Qiu Bao , Chen George Zheng , Liu Zhaoping
Published: October 2021

Scalable 345 W h kg−1 full pouch cells with guaranteed cycling life are achieved by employing the surface-modified materials.
A large piezoelectric voltage coefficient in aluminate-sodalite-type improper ferroelectric oxides
Authors: Taniguchi Hiroki , Hattori Taiga , Isobe Toshihiro , Nakano Akitoshi , Terasaki Ichiro , Hagiwara Manabu
Published: October 2021

An excellent piezoelectric response has been demonstrated in the aluminate-sodalite-type oxides (Ca1−xSrx)8[AlO2]12{MoO4}2, around the MPB-like vertical phase boundary, shedding light on the development of eco-friendly piezoceramics with excellent functionalities.
Closing up the cluster tension?
Authors: Blanchard A. , Ilić S.
Published: October 2021

The excellent measurements of the cosmic microwave background (CMB) fluctuations by Planck allow us to tightly constrain the amplitude of matter fluctuations at redshift ∼1100 in the Λ-cold dark matter (ΛCDM) model. This amplitude can be extrapolated to the present epoch, yielding constraints on the value of the σ8 parameter. On the other hand, the abundance of Sunyaev-Zeldovich (SZ) clusters detected by Planck, with masses inferred using a hydrostatic equilibrium assumption, leads to a significantly lower value of the same parameter. This discrepancy is often dubbed the σ8 tension in the literature and is sometimes regarded as a possible sign of new physics. Here, we examine a direct determination of σ8 at the present epoch in ΛCDM, and thereby the cluster mass calibrations using cosmological data at low redshift, namely the measurements of fσ8 from the analysis of the completed Sloan Digital Sky Survey. We combined redshift-space distortion measurements with Planck CMB constraints, X-ray, and SZ cluster counts within the ΛCDM framework, but leaving the present-day amplitude of matter fluctuations as an independent parameter (i.e. no extrapolation is made from high-redshift CMB constraints). The calibration of X-ray and SZ masses are left as free parameters throughout the whole analysis. Our study yields tight constraints on the aforementioned calibrations, with values entirely consistent with results obtained from the full combination of CMB and cluster data only. Such an agreement suggests an absence of tension in the ΛCDM model between CMB-based estimates of σ8 and constraints from low-redshift on fσ8; however, it also indicates tension with the standard calibration of clusters masses.
Comment on “Non-interacting coronal mass ejections and solar energetic particles near the quadrature configuration of solar terrestrial relations observatory”: CME shocks are fast magnetosonic shocks and not intermediate Alfvén shocks
Authors: Tsurutani B. T. , Shan L. , Lakhina G. S. , Mazelle C. , Meng X. , Du A. , Liu Z.
Published: October 2021

Aims.The expression for the shock Mach number used by Ravishankar and Michalek (2020, A&A, 638, A42) is incorrect. We wish to provide a correct expression so they can redo their analyses.

Methods.Coronal mass ejection (CME) shocks are fast magnetosonic shocks and not intermediate Alfvén shocks. We give the steps for calculating the shock normal, shock velocity, and, thus, the shock Mach number. We also mention that the shock properties, such as being quasi-perpendicular or quasi-parallel, are another important parameter for the shock acceleration of energetic particles.

Results.We have corrected the errors existing in the Astronomy and Astrophysics literature concerning the mathematical expression for the Mach number for a CME shock. Hopefully, future authors will use the now-correct expression for the Mach number.

Conclusions.The correct shock Mach number expression has been given to Ravishankar and Michalek. It is hoped that they will redo their calculations (including using other shock properties) to see if their 2020 conclusions still hold true or not.
Clustered star formation at early evolutionary stages
Authors: Gieser C. , Beuther H. , Semenov D. , Suri S. , Soler J. D. , Linz H. , Syed J. , Henning Th. , Feng S. , Möller T. , Palau A. , Winters J. M. , Beltrán M. T. , Kuiper R. , Moscadelli L. , Klaassen P. , Urquhart J. S. , Peters T. , Longmore S. N. , Sánchez-Monge Á. , Galván-Madrid R. , Pudritz R. E. , Johnston K. G.
Published: October 2021

Context. The process of high-mass star formation during the earliest evolutionary stages and the change over time of the physical and chemical properties of individual fragmented cores are still not fully understood.

Aims. We aim to characterize the physical and chemical properties of fragmented cores during the earliest evolutionary stages in the very young star-forming regions ISOSS J22478+6357 and ISOSS J23053+5953.

Methods. NOrthern Extended Millimeter Array 1.3 mm data are used in combination with archival mid- and far-infrared Spitzer and Herschel telescope observations to construct and fit the spectral energy distributions of individual fragmented cores. The radial density profiles are inferred from the 1.3 mm continuum visibility profiles, and the radial temperature profiles are estimated from H2CO rotation temperature maps. Molecular column densities are derived with the line fitting tool XCLASS. The physical and chemical properties are combined by applying the physical-chemical model MUlti Stage ChemicaL codE in order to constrain the chemical timescales of a few line-rich cores. The morphology and spatial correlations of the molecular emission are analyzed using the histogram of oriented gradients (HOG) method.

Results. The mid-infrared data show that both regions contain a cluster of young stellar objects. Bipolar molecular outflows are observed in the CO 2−1 transition toward the strong millimeter (mm) cores, indicating protostellar activity. We find strong molecular emission of SO, SiO, H2CO, and CH3OH in locations that are not associated with the mm cores. These shocked knots can be associated either with the bipolar outflows or, in the case of ISOSS J23053+5953, with a colliding flow that creates a large shocked region between the mm cores. The mean chemical timescale of the cores is lower (~20 000 yr) compared to that of the sources of the more evolved CORE sample (~60 000 yr). With the HOG method, we find that the spatial emission of species that trace the extended emission and of shock-tracing molecules are well correlated within transitions of these groups.

Conclusions. Clustered star formation is observed toward both regions. Comparing the mean results of the density and temperature power-law index with the results of the original CORE sample of more evolved regions, it appears that neither change significantly from the earliest evolutionary stages to the hot molecular core stage. However, we find that the 1.3 mm flux, kinetic temperature, H2 column density, and core mass of the cores increase in time, which can be traced both in the M/L ratio and the chemical timescale, τchem.
Machine learning model designed to predict the amount of CO2 produced by a small pellet boiler
Authors: Backa Alexander , Drga Juraj , Martvoňová Lucia , Polačiková Mária
Published: October 2021

Emissions, including CO2 emissions, are generated during the combustion process. Perfect combustion of biomass should not lead to the formation of CO, but all carbon should burn perfectly and change to CO2 by the oxidation process. Under real conditions, complete combustion never occurs and part of the carbon is not burned at all or only imperfectly to form CO. The aim of the work was to create a prediction model of machine learning, which allows to predict in advance the amount of CO2 generated during the combustion of wood pellets. This model uses machine learning regression methods. The most accurate model (Gaussian process) showed a root-mean-square error, RMSE = 0.55. The resulting mathematical model was subsequently verified on independent measurements, where the ability of the model to correctly predict the amount of CO2 generated in % was demonstrated. The average deviation of the measured and predicted amount of CO2 represented a difference of 0.53 %, which is 8.8 % of the total measured range (3.08 - 9.2). Such a model can be modified and used in the prediction of other combustion parameters.
The efficiency of transcritical CO2 cycle near critical point and with high temperature
Authors: Daniarta Sindu , Imre Attila R. , Kolasiński Piotr
Published: October 2021

Efficiency is a key parameter used to assess the quality of operation of power generation systems and devices applied for converting one type of energy to the other. Although, in the end, an investment project is mainly evaluated by economic aspect. Furthermore, many researchers have been investigating the possible types of energy conversion systems and devices applied for power generation and utilizing different types of working fluids. This paper presents the inside into transcritical carbon dioxide (CO2) cycle and the gradients of its efficiency. Transcritical CO2 cycle (TCO2C) here refers to a CO2-based thermal power generation cycle absorbing heat from a heat source (ideally with constant pressure) till the supercritical state is reached. It is followed by an expansion to a sub-critical superheated or even two-phase (wet) state. As alternatives, trilateral flash cycle (TFC) and organic Rankine cycle (ORC) utilizing CO2 are also introduced in this paper. The calculation in this study is computed based on MATLAB integrated with thermophysical properties like CoolProp and REFPROP, the mathematical models of the system are built and calculated with the same heat sink temperature of 224.41 K, and the heat source temperature is varied between 274.41 K and 500 K. At a certain temperature, the obtained result shows that the efficiency of the TCO2C is lower than the efficiency of ORC. Another result proves that the quality of working fluid at the end of the expansion process significantly influences the efficiency of the cycle.