bluuebunny/crossref_metadata_2025 huggingface dataset:
Non-communicable diseases deaths attributable to high body mass index in Chile
Authors: Riquelme Ricardo , Rezende Leandro F. M. , Guzmán-Habinger Juan , Chávez Javiera L. , Celis-Morales Carlos , Ferreccio Catterina , Ferrari Gerson
Published: July 2021

We estimated the proportion and number of deaths from non-communicable diseases (NCD) attributable to high body mass index (BMI) in Chile in 2018. We used data from 5927 adults from a 2016–2017 Chilean National Health Survey to describe the distribution of BMI. We obtained the number of deaths from NCD from the Ministry of Health. Relative risks (RR) and 95% confidence intervals per 5 units higher BMI for cardiovascular disease, cancer, and respiratory disease were retrieved from the Global BMI Mortality Collaboration meta-analyses. The prevalences of overweight and obesity were 38.9% and 39.1%, respectively. We estimated that reducing population-wide BMI to a theoretical minimum risk exposure level (mean BMI: 22.0 kg/m2; standard deviation: 1) could prevent approximately 21,977 deaths per year (95%CI 13,981–29,928). These deaths represented about 31.6% of major NCD deaths (20.1–43.1) and 20.4% of all deaths (12.9–27.7) that occurred in 2018. Most of these preventable deaths were from cardiovascular diseases (11,474 deaths; 95% CI 7302–15,621), followed by cancer (5597 deaths; 95% CI 3560–7622) and respiratory disease (4906 deaths; 95% CI 3119–6684). A substantial burden of NCD deaths was attributable to high BMI in Chile. Policies and population-wide interventions are needed to reduce the burden of NCD due to high BMI in Chile.
Towards a better understanding of the HTL process of lignin-rich feedstock
Authors: Ciuffi Benedetta , Loppi Massimiliano , Rizzo Andrea Maria , Chiaramonti David , Rosi Luca
Published: July 2021

The hydrothermal liquefaction reactions (HTL) in subcritical conditions of a lignin residue has been studied on a lab scale. The starting material was a lignin rich residue co-produced by an industrial plant situated in Northern Italy producing lignocellulosic bioethanol. The reactions were carried out in batch mode using stainless steel autoclaves. The experiments were under the following operating conditions: two different temperatures (300–350 °C), the presence of basis catalysts (NaOH, and NH4OH) in different concentrations and the presence/absence of capping agent 2,6-bis-(1,1-dimethylethyl)-4-methylphenol (BHT). Lignin residue and reaction products were characterized by analytical and spectroscopic techniques such as CHN-S, TGA, GC–MS, EPR, and 1H-NMR with (2,2,6,6-Tetramethylpiperidin-1-yl)oxyl (T.E.M.P.O.). The addition of BHT did not significantly affect the yield of char which is formed by radical way. Spectroscopic analysis indicated that the level of radicals during the reaction was negligible. Therefore, the results obtained experimentally suggest that the reaction takes place via an ionic route while radical species would play a minor role.
Impact on patients with oral squamous cell carcinoma in different anatomical subsites: a single-center study in Taiwan
Authors: Lin Nan-Chin , Hsien Su-I , Hsu Jui-Ting , Chen Michael Y. C.
Published: July 2021

The incidence of oral cavity squamous cell carcinoma (OSCC) is particularly high in South Asia. According to the National Comprehensive Cancer Network, OSCC can arise in several subsites. We investigated survival rates and the clinical and pathological characteristics of OSCC in different anatomical subsites in the Taiwanese population. We retrospectively analyzed data for 3010 patients with OSCC treated at the Changhua Christian Hospital. Subsequently, we compared clinical and pathological features of OSCC in different subsites. Pathological T4 stage OSCCs occurred in the alveolar ridge and retromolar trigone in 56.4% and 43.7% of cases, respectively. More than 25% of patients with tongue OSCC and 23.4% of those with retromolar OSCC had lymph node metastasis. The prognosis was worst for hard palate OSCC (hazard ratio 1.848; p < 0.001) and alveolar ridge OSCC (hazard ratio 1.220; p = 0.017). Retromolar OSCC recurred most often and tongue OSCC second most often. The risk for cancer-related mortality was highest for hard palate OSCC, followed by alveolar ridge and retromolar OSCC. We found distinct differences in survival among the different subsites of OSCC. Our findings may also help prompt future investigations of OSCC in different subsites in Taiwanese patients.
Molecular analysis of Pseudomonas aeruginosa strains isolated from cystic fibrosis patients
Authors: Jarych Dariusz , Augustynowicz-Kopec Ewa , Iwanska Agnieszka , Parniewski Pawel , Majchrzak Marta
Published: July 2021

Pseudomonas aeruginosa is a severe bacterial pathogen. Due to the genetic flexibility among strains, chronic airways infection can lead to mortality among cystic fibrosis (CF) patients. It is essential to develop patient-specific therapy which will rely on phenotypic and genomic diversity. The primary objective of this study was to assess the genomic variability of P. aeruginosa strains, using two different molecular techniques for tracking the epidemiological transmissions. This study applied a multiple-locus variable-number tandem-repeat (VNTR) analysis (MLVA) for an efficient genotyping of clinical P. aeruginosa strains isolated from CF patients and compared results with a TRS-PCR typing. The percentage similarity analysis was performed using the categorical multi-state coefficient and UPGMA method. Based on the MLVA and TRS-PCR group assessment, 43 P. aeruginosa strains/variants were detected among the 63 clinical isolates from eight CF patients. The study of P. aeruginosa isolates has revealed that during chronic bacterial infections, CF patients harbor different P. aeruginosa strains or variants within the same host over the years. P. aeruginosa genotypes diversity may result from infection with several strains and result from a microevolution process of an initially acquired strain. The TRS-PCR method proposed in this work can complement the MLVA scheme. It can also be used as a preliminary method for genetic typing of P. aeruginosa isolates in CF patients.
Proteomic study of Desulfovibrio ferrophilus IS5 reveals overexpressed extracellular multi-heme cytochrome associated with severe microbiologically influenced corrosion
Authors: Chatterjee Mohor , Fan Yu , Cao Fang , Jones Aaron A. , Pilloni Giovanni , Zhang Xiaozhou
Published: July 2021

Microbiologically influenced corrosion (MIC) is recognized as a considerable threat to carbon steel asset integrity in the oil and gas industry. There is an immediate need for reliable and broadly applicable methods for detection and monitoring of MIC. Proteins associated with microbial metabolisms involved in MIC could serve as useful biomarkers for MIC diagnosis and monitoring. A proteomic study was conducted using a lithotrophically-grown bacterium Desulfovibrio ferrophilus strain IS5, which is known to cause severe MIC in seawater environments. Unique proteins, which are differentially and uniquely expressed during severe microbial corrosion by strain IS5, were identified. This includes the detection of a multi-heme cytochrome protein possibly involved in extracellular electron transfer in the presence of the carbon steel. Thus, we conclude that this newly identified protein associated closely with severe MIC could be used to generate easy-to-implement immunoassays for reliable detection of microbiological corrosion in the field.
Comparison of cervical muscle isometric force between migraine subgroups or migraine-associated neck pain: a controlled study
Authors: Florencio Lidiane Lima , de Oliveira Anamaria Siriani , Pinheiro Carina Ferreira , Will-Lemos Tenysson , Dach Fabíola , Fernández-de-las-Peñas César , Bevilaqua-Grossi Débora
Published: July 2021

This study aimed to verify if migraine frequency or migraine-associated neck pain were associated with a reduction of normalized force and altered electromyographic activity during maximal cervical muscle isometric contractions. Additionally, it aimed to assess the correlation of normalized isometric force with years with migraine, headache frequency, headache intensity, migraine-related disability, and severity of cutaneous allodynia. The sample comprises 71 women with migraine (40/31 episodic/chronic, 42/18 with/without neck pain) and 32 women without headache. Cervical muscle isometric force in flexion, extension, and lateral flexion was assessed synchronized with the acquisition of superficial electromyography from the cervical muscles. Women with episodic migraine presented lower normalized isometric force in extension, flexion, and right and left lateral flexions than controls (P < 0.05). Women with migraine and neck pain exhibited lower cervical extension and right/left lateral-flexions normalized isometric force than controls (P < 0.05). No significant differences were observed in antagonist activity. Normalized isometric force in all directions showed weak to moderate correlations with the severity of self-reported symptoms of cutaneous allodynia (− 0.25 ≥ r ≥ − 0.39). No additional linear correlation with clinical migraine features was observed. In conclusion, cervical muscle weakness may be associated with episodic migraine and neck pain concurrent with migraine attacks without altered antagonist activity. Additionally, it may also be related to the severity of cutaneous allodynia.
Environmental determinants of the occurrence and activity of Ixodes ricinus ticks and the prevalence of tick-borne diseases in eastern Poland
Authors: Zając Zbigniew , Kulisz Joanna , Bartosik Katarzyna , Woźniak Aneta , Dzierżak Malwina , Khan Adil
Published: July 2021

Ixodes ricinus is the most widely distributed tick species in Europe. Mainly deciduous and mixed forests, pastures, and urban parks are habitats preferred by this species. I. ricinus ticks are also one of the most important reservoirs and vectors of human and animal infectious diseases on the continent. Borrelia burgdorferi s.l. spirochetes causing Lyme borreliosis (LB) in humans and tick borne encephalitis virus (TBEV), which is a causative agent of tick-borne encephalitis (TBE), are pathogens with the highest medical importance transmitted by this species. Investigations of the environmental determinants of the occurrence and activity of I. ricinus are crucial for elucidation of the environmental background of tick-borne diseases. In eastern Poland, I. ricinus is a common species with peak activity recorded in May in the entire region. During this period, 49 females, 32 males, and 55 I. ricinus nymphs were collected from an area of 900 m2. The results of the present study show that the occurrence and seasonal activity of this tick species are mainly influenced by microhabitat conditions, and saturation deficit has a significant effect on the activity of the species. Eastern Poland is characterized by a high incidence of LB and TBE. We have shown a correlation between the forest cover and the number of reported cases of tick-borne diseases.
Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action
Authors: Palte Rachel L. , Juan Veronica , Gomez-Llorente Yacob , Bailly Marc Andre , Chakravarthy Kalyan , Chen Xun , Cipriano Daniel , Fayad Ghassan N. , Fayadat-Dilman Laurence , Gathiaka Symon , Greb Heiko , Hall Brian , Handa Mas , Hsieh Mark , Kofman Esther , Lin Heping , Miller J. Richard , Nguyen Nhung , O’Neil Jennifer , Shaheen Hussam , Sterner Eric , Strickland Corey , Sun Angie , Taremi Shane , Scapin Giovanna
Published: July 2021

Human Arginase 1 (hArg1) is a metalloenzyme that catalyzes the hydrolysis of l-arginine to l-ornithine and urea, and modulates T-cell-mediated immune response. Arginase-targeted therapies have been pursued across several disease areas including immunology, oncology, nervous system dysfunction, and cardiovascular dysfunction and diseases. Currently, all published hArg1 inhibitors are small molecules usually less than 350 Da in size. Here we report the cryo-electron microscopy structures of potent and inhibitory anti-hArg antibodies bound to hArg1 which form distinct macromolecular complexes that are greater than 650 kDa. With local resolutions of 3.5 Å or better we unambiguously mapped epitopes and paratopes for all five antibodies and determined that the antibodies act through orthosteric and allosteric mechanisms. These hArg1:antibody complexes present an alternative mechanism to inhibit hArg1 activity and highlight the ability to utilize antibodies as probes in the discovery and development of peptide and small molecule inhibitors for enzymes in general.
PRL3 induces polyploid giant cancer cells eliminated by PRL3-zumab to reduce tumor relapse
Authors: Thura Min , Ye Zu , Al-Aidaroos Abdul Qader , Xiong Qiancheng , Ong Jun Yi , Gupta Abhishek , Li Jie , Guo Ke , Ang Koon Hwee , Zeng Qi
Published: July 2021

PRL3, a unique oncotarget, is specifically overexpressed in 80.6% of cancers. In 2003, we reported that PRL3 promotes cell migration, invasion, and metastasis. Herein, firstly, we show that PRL3 induces Polyploid Giant Cancer Cells (PGCCs) formation. PGCCs constitute stem cell-like pools to facilitate cell survival, chemo-resistance, and tumor relapse. The correlations between PRL3 overexpression and PGCCs attributes raised possibilities that PRL3 could be involved in PGCCs formation. Secondly, we show that PRL3+PGCCs co-express the embryonic stem cell markers SOX2 and OCT4 and arise mainly due to incomplete cytokinesis despite extensive DNA damage. Thirdly, we reveal that PRL3+PGCCs tolerate prolonged chemotherapy-induced genotoxic stress via suppression of the pro-apoptotic ATM DNA damage-signaling pathway. Fourthly, we demonstrated PRL3-zumab, a First-in-Class humanized antibody drug against PRL3 oncotarget, could reduce tumor relapse in ‘tumor removal’ animal model. Finally, we confirmed that PGCCs were enriched in relapse tumors versus primary tumors. PRL3-zumab has been approved for Phase 2 clinical trials in Singapore, US, and China to block all solid tumors. This study further showed PRL3-zumab could potentially serve an ‘Adjuvant Immunotherapy’ after tumor removal surgery to eliminate PRL3+PGCC stem-like cells, preventing metastasis and relapse.
Rational engineering of ratiometric calcium sensors with bright green and red fluorescent proteins
Authors: Zhang Diming , Redington Emily , Gong Yiyang
Published: July 2021

Ratiometric genetically encoded calcium indicators (GECIs) record neural activity with high brightness while mitigating motion-induced artifacts. Recently developed ratiometric GECIs primarily employ cyan and yellow-fluorescent fluorescence resonance energy transfer pairs, and thus fall short in some applications that require deep tissue penetration and resistance to photobleaching. We engineered a set of green-red ratiometric calcium sensors that fused two fluorescent proteins and calcium sensing domain within an alternate configuration. The best performing elements of this palette of sensors, Twitch-GR and Twitch-NR, inherited the superior photophysical properties of their constituent fluorescent proteins. These properties enabled our sensors to outperform existing ratiometric calcium sensors in brightness and photobleaching metrics. In turn, the shot-noise limited signal fidelity of our sensors when reporting action potentials in cultured neurons and in the awake behaving mice was higher than the fidelity of existing sensors. Our sensor enabled a regime of imaging that simultaneously captured neural structure and function down to the deep layers of the mouse cortex.
Improving personalized tumor growth predictions using a Bayesian combination of mechanistic modeling and machine learning
Authors: Mascheroni Pietro , Savvopoulos Symeon , Alfonso Juan Carlos López , Meyer-Hermann Michael , Hatzikirou Haralampos
Published: July 2021

Background

In clinical practice, a plethora of medical examinations are conducted to assess the state of a patient’s pathology producing a variety of clinical data. However, investigation of these data faces two major challenges. Firstly, we lack the knowledge of the mechanisms involved in regulating these data variables, and secondly, data collection is sparse in time since it relies on patient’s clinical presentation. The former limits the predictive accuracy of clinical outcomes for any mechanistic model. The latter restrains any machine learning algorithm to accurately infer the corresponding disease dynamics.

Methods

Here, we propose a novel method, based on the Bayesian coupling of mathematical modeling and machine learning, aiming at improving individualized predictions by addressing the aforementioned challenges.

Results

We evaluate the proposed method on a synthetic dataset for brain tumor growth and analyze its performance in predicting two relevant clinical outputs. The method results in improved predictions in almost all simulated patients, especially for those with a late clinical presentation (>95% patients show improvements compared to standard mathematical modeling). In addition, we test the methodology in two additional settings dealing with real patient cohorts. In both cases, namely cancer growth in chronic lymphocytic leukemia and ovarian cancer, predictions show excellent agreement with reported clinical outcomes (around 60% reduction of mean squared error).

Conclusions

We show that the combination of machine learning and mathematical modeling approaches can lead to accurate predictions of clinical outputs in the context of data sparsity and limited knowledge of disease mechanisms.
Strain- and field-induced anisotropy in hybrid elastomers with elongated filler nanoparticles
Authors: Seifert Julian , Günzing Damian , Webers Samira , Dulle Martin , Kruteva Margarita , Landers Joachim , Wende Heiko , Schmidt Annette M.
Published: July 2021

The implementation of anisotropy to functional materials is a key step towards future smart materials.
Direct enantiomeric discrimination through antisymmetric hyperfine coupling
Authors: Garbacz Piotr , Vaara Juha
Published: July 2021

A chirality-sensitive effect induced by antisymmetric hyperfine coupling, which lifts the intrinsic insensitivity of electron paramagnetic resonance spectroscopy to molecular chirality, is described.
Reductive amination of ketones/aldehydes with amines using BH3N(C2H5)3 as a reductant
Authors: Zou Qizhuang , Liu Fei , Zhao Tianxiang , Hu Xingbang
Published: July 2021

Herein, we report the first example of efficient reductive amination of ketones/aldehydes with amines using BH3N(C2H5)3 as a catalyst and a reductant under mild conditions, affording various tertiary and secondary amines in excellent yields.
Crumpled B, F Co-doped graphene nanosheets for the fabrication of all-solid-state flexible supercapacitors
Authors: Sandhiya Murugesan , Veerappan Uma Kumar Kailash , Sathish Marappan
Published: July 2021

A flexible all-solid-state supercapacitor was fabricated using B, F co-doped graphene with an excellent energy density of 24 W h kg−1.
The controllable synthesis of urchin-shaped hierarchical superstructure MOFs with high catalytic activity and stability
Authors: Wang Zhanke , Ge Lei , Zhang Guangxu , Chen Yao , Gao Rongrong , Wang Hao , Zhu Zhonghua
Published: July 2021

The sizes of rod-shaped bulk MOFs could be decreased to the nanoscale via using metal oxides as precursors, and then the as-obtained nanosized MOFs could be self-assembled to form urchin-shaped superstructure MOFs via changing the dosage of ligands.
Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids
Authors: Rai Sunil K. , Baidya Debjani , Nangia Ashwini K.
Published: July 2021

Eight cocrystal-salts of the multi-kinase drug pazopanib with hydroxybenzoic acids are sustained by the strong, ionic aminopyridinium⋯carboxylate heterosynthon of N–H⋯O hydrogen bonds between the carboxylic acid donor and amino-pyrimidine acceptor.
Ultrafast “end-on”-to-“side-on” binding-mode isomerization of an iron–carbon dioxide complex
Authors: Straub Steffen , Vöhringer Peter
Published: July 2021

Femtosecond UV/MIR spectroscopy reveals the binding mode isomerization of an iron–carbon dioxide complex following the impulsive photolysis of iron oxalate precursor.
Probing time dependent phase transformation in a flexible metal–organic framework with nanoindentation
Authors: Kanoo Prakash , Mishra Manish Kumar , Hazra Arpan
Published: July 2021

Nanoindentation experiment on a flexible metal–organic framework reveals gradual phase transformation, through multiple intermediate phases, with the mechanical properties increasing as the transformation progresses from an open to a closed phase.
A study on the influence of ligand variation on formamidinate complexes of yttrium: new precursors for atomic layer deposition of yttrium oxide
Authors: Beer Sebastian M. J. , Boysen Nils , Muriqi Arbresha , Zanders David , Berning Thomas , Rogalla Detlef , Bock Claudia , Nolan Michael , Devi Anjana
Published: July 2021

Side chain variation of yttrium formamidinates yielding thermally stable precursor for water assisted ALD of dielectric Y2O3 thin films.
Controlling the molecular diffusion in MOFs with the acidity of monocarboxylate modulators
Authors: Lázaro Isabel Abánades , Popescu Catalin , Cirujano Francisco G.
Published: July 2021

The catalytic performance of metal–organic frameworks (MOFs) is related to their physicochemical properties, such as particle size, defect chemistry and porosity, and their control can be potentially achieved by coordination modulation.
Insights on the coupling between vibronically active molecular vibrations and lattice phonons in molecular nanomagnets
Authors: Ullah Aman , Baldoví José J. , Gaita-Ariño Alejandro , Coronado Eugenio
Published: July 2021

We provide a simple and insightful model to study the coupling of local vibrational modes with long-wavelength longitudinal and transverse phonons in the clock-like spin qubit [Ho(W5O18)2]9−.
Strategies towards enabling lithium metal in batteries: interphases and electrodes
Authors: Horstmann Birger , Shi Jiayan , Amine Rachid , Werres Martin , He Xin , Jia Hao , Hausen Florian , Cekic-Laskovic Isidora , Wiemers-Meyer Simon , Lopez Jeffrey , Galvez-Aranda Diego , Baakes Florian , Bresser Dominic , Su Chi-Cheung , Xu Yaobin , Xu Wu , Jakes Peter , Eichel Rüdiger-A. , Figgemeier Egbert , Krewer Ulrike , Seminario Jorge M. , Balbuena Perla B. , Wang Chongmin , Passerini Stefano , Shao-Horn Yang , Winter Martin , Amine Khalil , Kostecki Robert , Latz Arnulf
Published: July 2021

Perspective on recent improvements in experiment and theory towards realizing lithium metal electrodes with liquid electrolytes.
The effects of fermented rye products on gut microbiota and their association with metabolic factors in Chinese adults – an explorative study
Authors: Liu Yuwei , Xue Kun , Iversen Kia N. , Qu Zheng , Dong Chenglin , Jin Taiyi , Hallmans Göran , Åman Per , Johansson Anders , He Gengsheng , Landberg Rikard
Published: July 2021

Fermented rye products are beneficial to gut microbiota and metabolic factors in Chinese adults.
A solvent-reagent selection guide for Steglich-type esterification of carboxylic acids
Authors: Jordan Andrew , Whymark Kyran D. , Sydenham Jack , Sneddon Helen F.
Published: July 2021

A solvent-reagent selection guide for Steglich esterification has been developed. Safer, more sustainable solvent-reagent combinations were identified and optimized for this transformation effectively replacing the more harmful, toxic status quo.
Electronic properties and high-pressure behavior of wolframite-type CoWO4
Authors: Bandiello Enrico , Rodríguez-Hernández Plácida , Muñoz Alfonso , Buenestado Manuel Bajo , Popescu Catalin , Errandonea Daniel
Published: July 2021

In this work we characterize wolframite-type CoWO4 under ambient conditions and under compression up to 10 GPa, with emphasis on its electronic structure.
Electrical detection of ppb region NO2 using Mg-porphyrin-modified graphene field-effect transistors
Authors: Ikuta Takashi , Tamaki Takashi , Masai Hiroshi , Nakanishi Ryudai , Endo Kitaro , Terao Jun , Maehashi Kenzo
Published: July 2021

The Mg-porphyrin-modified graphene FETs showed NO2 detection at a low concentration of ppb order at room temperature and are highly selective toward NO2.
Gene-editing by CRISPR–Cas9 in combination with anthracycline therapy via tumor microenvironment-switchable, EGFR-targeted, and nucleus-directed nanoparticles for head and neck cancer suppression
Authors: Wang Chen-Shen , Chang Chih-Hsien , Tzeng Tsai-Yu , Lin Anya Maan-Yuh , Lo Yu-Li
Published: July 2021

The smart nanoparticles may provide a combinatorial spatiotemporal platform against tumors for chemotherapy and the CRISPR/Cas gene-editing system with the advantages of a tumor pH response, active EGFR targeting, and nuclear localization.
Unveiling the role of surface, size, shape and defects of iron oxide nanoparticles for theranostic applications
Authors: Cotin Geoffrey , Blanco-Andujar Cristina , Perton Francis , Asín Laura , de la Fuente Jesus M. , Reichardt Wilfried , Schaffner Denise , Ngyen Dinh-Vu , Mertz Damien , Kiefer Céline , Meyer Florent , Spassov Simo , Ersen Ovidiu , Chatzidakis Michael , Botton Gianluigi A. , Hénoumont Céline , Laurent Sophie , Greneche Jean-Marc , Teran Francisco J. , Ortega Daniel , Felder-Flesch Delphine , Begin-Colin Sylvie
Published: July 2021

Theranosticity of nanoparticles provided by their shape, size, defects and dendron coating.
Benchmarking atomically defined AFM tips for chemical-selective imaging
Authors: Schulze Lammers Bertram , Yesilpinar Damla , Timmer Alexander , Hu Zhixin , Ji Wei , Amirjalayer Saeed , Fuchs Harald , Mönig Harry
Published: July 2021

Challenge of four common AFM tip-terminations: The high rigidity and moderate chemical passivation of CuOx-tips provide site-selective contrast on a metal–oxide.
Diversification of α-ketoamides via transamidation reactions with alkyl and benzyl amines at room temperature
Authors: Singh Shweta , Popuri Sureshbabu , Junaid Qazi Mohammad , Sabiah Shahulhameed , Kandasamy Jeyakumar
Published: July 2021

A wide range of N-tosyl α-ketoamides underwent transamidation with various alkyl and benzyl amines in the absence of a catalyst or base at room temperature. On the other hand, transamidation in N-Boc α-ketoamides was achieved in the presence of Cs2CO3.
2-Thiazolines: an update on synthetic methods and catalysis
Authors: Badillo-Gómez Joel I. , Gouygou Maryse , Ortega-Alfaro M. Carmen , López-Cortés José G.
Published: July 2021

This review summarizes the recent developments in the synthesis and catalytic applications of 2-thiazoline ligands with literature coverage mainly extending from 2009 to 2021.
Ultrasonic assisted exfoliation for efficient production of RuO2 monolayer nanosheets
Authors: Kim Se Yun , Kim Sang-il , Kim Mun Kyoung , Kim Jinhong , Mizusaki Soichiro , Ko Dong-Su , Jung Changhoon , Yun Dong-Jin , Roh Jong Wook , Kim Hyun-Sik , Sohn Hiesang , Lim Jong-Hyeong , Oh Jong-Min , Jeong Hyung Mo , Shin Weon Ho
Published: July 2021

RuO2 monolayer nanosheets can be easily synthesized by an ultrasonic assisted exfoliation process.
A bifunctional robust metal sulfide with highly selective capture of Pb2+ ions and luminescence sensing ability for heavy metals in aqueous media
Authors: Pournara Anastasia D. , Bika Christina-Georgia , Chen Xitong , Lazarides Theodore , Kaziannis Spyridon , Feng Pingyun , Manos Manolis J.
Published: July 2021

A 3-D metal sulfide ion exchanger (MSIE) with extra-framework H+ ions showed a remarkable capability for sorption of Pb2+ ions and highly efficient luminescence sensing properties towards various heavy metal ions.
Coal fly ash driven zeolites for the adsorptive removal of the ceftazidime drug
Authors: Tumrani Sadam Hussain , Soomro Razium Ali , Zhang Xiao , Bhutto Danish Ali , Bux Nabi , Ji Xiaodong
Published: July 2021

Diagram showing a systematic approach to preparing zeolites using the hydrothermal approach with the coal mine water and tap water as dissolution solvents.
A three-dimensional nano-network WO3/F-TiO2-{001} heterojunction constructed with OH-TiOF2 as the precursor and its efficient degradation of methylene blue
Authors: Hou Chentao , Hao Jing
Published: July 2021

A new type of WO3/F-TiO2-{001} heterostructure semiconductor material with a three-dimensional network structure was successfully prepared by the hydrothermal method.
Green, scalable, low cost and reproducible flow synthesis of biocompatible PEG-functionalized iron oxide nanoparticles
Authors: Mahin Julien , Franck Christoph O. , Fanslau Luise , Patra Hirak K. , Mantle Michael D. , Fruk Ljiljana , Torrente-Murciano Laura
Published: July 2021

A continuous synthesis strategy enabling the large-scale and cost-effective synthesis and functionalization of iron oxide nanoparticles in a single setup is developed, leading to fully biocompatible and application-ready PEG coated nanoparticles.
Copper-catalyzed [3 + 1] cyclization of cyclopropenes/diazo compounds and bromodifluoroacetamides: facile synthesis of α,α-difluoro-β-lactam derivatives
Authors: Zhang Mengru , Li Hexin , Zhao Jinbo , Li Yan , Zhang Qian
Published: July 2021

A copper-catalyzed [3 + 1] cyclization of cyclopropenes and bromodifluoroacetamides/diazo compounds has been successfully developed, efficiently synthesizing a wide range of α,α-difluoro-β-lactams.
A thermodynamic analysis of biogas-to-methanol conversion with CH4 recycling and CO2 utilization using Aspen HYSYS
Authors: Rosha Pali , Kumar Sandeep , Ibrahim Hussameldin
Published: July 2021

Hydrocarbon reforming routes are renowned for producing a multitude of energy-effective renewable fuels and/or chemicals.
Biomass-derived carbon electrodes for supercapacitors and hybrid solar cells: towards sustainable photo-supercapacitors
Authors: Keppetipola Nilanka M. , Olivier Céline , Toupance Thierry , Cojocaru Ludmila
Published: July 2021

Progress in use of carbon materials, particularly those prepared from bio-sourced precursors, as electrodes for energy conversion & storage, separately, and in combining supercapacitors & solar cells in one single system.
Active binary switching of soft colloids: stability and structural properties
Authors: Bley Michael , Dzubiella Joachim , Moncho-Jordá Arturo
Published: July 2021

We employ reactive dynamical density functional theory and reactive Brownian dynamics simulations to study the non-equilibrium structure and phase behavior of active soft colloids in which each particle switches stochastically between two states.
Gold nanoparticles endowed with low-temperature colloidal stability by cyclic polyethylene glycol in ethanol
Authors: Aboudzadeh M. Ali , Kruse Joscha , Sanromán Iglesias Maria , Cangialosi Daniele , Alegria Angel , Grzelczak Marek , Barroso-Bujans Fabienne
Published: July 2021

Cyclic polymer brush topology prevents gold nanoparticle sedimentation ensuring long-term colloidal stability in ethanol at −25 °C.
Investigation of the enhanced ability of bile salt surfactants to solubilize phospholipid bilayers and form mixed micelles
Authors: Forooqi Motlaq Vahid , Ortega-Holmberg Mattias , Edwards Katarina , Gedda Lars , Lyngsø Jeppe , Pedersen Jan Skov , Bergström L. Magnus
Published: July 2021

Spontaneous curvature (kcH0) increases in the order of phospholipids < conventional surfactants < bile salts. Likewise, the bending rigidity (kc) decreases in the opposite direction.
Hybrid electrolytes with an ultrahigh Li-ion transference number for lithium-metal batteries with fast and stable charge/discharge capability
Authors: Zhou Xiaoyan , Li Xiaogang , Li Zhuo , Xie Huixin , Fu Jialong , Wei Lu , Yang Hui , Guo Xin
Published: July 2021

An ultra-high Li+ transference number of 0.92 and an ionic conductivity of 0.85 mS cm−1 at room temperature are achieved by using anion-anchoring α-LiAlO2@γ-Al2O3 nanosheets as fillers in PVDF-based electrolytes.
4D smart porous scaffolds based on the polyHIPE architecture and electroactive PEDOT
Authors: Ferrández-Montero A. , Carlier B. , Agniel R. , Leroy-Dudal J. , Vancaeyzeele C. , Plesse C.
Published: July 2021

The 4D PolyHIPE/PEDOT electroactive scaffold shows high electroactivity and volume variation under electrical stimulation, with a variation of the porosity of 10.8 ± 0.2%. It paves the way to the development of smart and multifunctional 4D materials.
All-inorganic encapsulation for remarkably stable cesium lead halide perovskite nanocrystals: toward full-color display applications
Authors: Lin Yue , Zheng Xi , Shangguan Zhibin , Chen Guolong , Huang Weizhi , Guo Weijie , Fan Xiaotong , Yang Xiao , Zhao Zijun , Wu Tingzhu , Chen Zhong
Published: July 2021

High-temperature solid-phase synthesis is able to yield full-color metal–halide perovskite nanocrystals with remarkable stabilities.
How Chatty Are Daddies? An Exploratory Study of Infants' Language Environments
Authors: Shapiro Naomi Tachikawa , Hippe Daniel S. , Ramírez Naja Ferjan
Published: July 2021

Purpose

Fathers play a critical but underresearched role in their children's cognitive and linguistic development. Focusing on two-parent families with a mother and a father, the present longitudinal study explores the amount of paternal input infants hear during the first 2 years of life, how this input changes over time, and how it relates to child volubility. We devote special attention to parentese, a near-universal style of infant-directed speech, distinguished by its higher pitch, slower tempo, and exaggerated intonation.

Method

We examined the daylong recordings of the same 23 infants at ages 6, 10, 14, 18, and 24 months, given English-speaking families. The infants were recorded in the presence of their parents (mother–father dyads), who were predominantly White and ranged from mid to high socioeconomic status (SES). We analyzed the effects of parent gender and child age on adult word counts and parentese, as well as the effects of maternal and paternal word counts and parentese on child vocalizations.

Results

On average, the infants were exposed to 46.8% fewer words and 51.9% less parentese from fathers than from mothers, even though paternal parentese grew at a 2.8-times faster rate as the infants aged. An asymmetry emerged where maternal word counts and paternal parentese predicted child vocalizations, but paternal word counts and maternal parentese did not.

Conclusions

While infants may hear less input from their fathers than their mothers in predominantly White, mid-to-high SES, English-speaking households, paternal parentese still plays a unique role in their linguistic development. Future research on sources of variability in child language outcomes should thus control for parental differences since parents' language can differ substantially and differentially predict child language.
The output performance of high power quality three‐phase to single‐phase AC power generation system based on open‐winding PMSG for standalone power system
Authors: Wei Jiadan , Wang Yiwei , Guo Lei , Hu Chaoyan
Published: July 2021

A three‐phase to single‐phase direct AC power generation system based on the open‐winding permanent magnet synchronous generator (PMSG) with the dual‐inverter is proposed in this study for the standalone power system. The negative DC terminals of the dual‐inverter are commonly connected, and the positive DC terminals are reconstructed as the output port of the single‐phase AC power; the three‐phase AC power generated by PMSG could be converted to be the high power quality single‐phase AC power directly without any LC filters. Different from the traditional OW‐PMSG system, zero‐sequence current is employed to achieve adjustable frequency and voltage of the single‐phase AC power, and the corresponding dual voltage‐loop control strategy with the separate positive‐sequence and zero‐sequence currents regulation of PMSG is given to achieve high output performance. The effectiveness of the proposed control strategy and the output characteristics have been verified by simulation and the experiment of the prototype, and the results show that the high‐quality single‐phase AC power can be obtained at a wide speed range and at different load operating conditions.
A night low‐illumination image enhancement model based on small probability area filtering and lossless mapping enhancement
Authors: He Lei , Long Wei , Liu Shouxin , Li Yanyan , Ding Wei
Published: July 2021

A novel night‐time image enhancement approach was proposed in this paper to address the problems of low contrast and poor details of low‐illumination images captured at night. To begin with, the luminance component V was extracted that was irrelevant to the colour information of the image upon converting the image to the HSV space from the RGB space. Then, by converting the luminance component V of the image into the probability space, the image was divided into a small‐probability grey‐scale area and a normal area based on the theory of probability. Moreover, pixels were transferred from the small probability area to the normal area of the image according to the nearest attribution principle that was established. Lastly, the contrast enhancement of the image was realized thanks to lossless mapping functions without losing the number of grey levels of the image. As can be observed from experimental results, the proposed method is superior to the most advanced algorithm in visual quality and quantitative measurement.
Maximizing power utilization of dual converter using predictive control with steady state cost
Authors: Votava Martin , Smidl Vaclav , Peroutka Zdenek , Glasberger Tomas
Published: July 2021

Capability to deliver maximum power of a converter is essential for increasing power density that is limiting in many applications. Therefore, control algorithm should guarantee operation within converter thermal limits. This requirement can be formalized by a hard constraint in the cost function of model predictive control (MPC). However, the temperatures of the converter elements are not constant in the steady state, which complicates evaluation of the cost on long prediction horizon. Therefore, the evaluation is simplified utilizing the analysis of steady state behaviour of the model and derived current derating laws calculated in off‐line manner. The derating law is used as the terminal set in MPC which allows using one‐step‐ahead evaluation for efficient real‐time implementation. The steady state analysis also provides coefficients for power loss balancing. The proposed approach is applied to control of dual converter, which has high redundancy of switching elements and, thus, wide space for optimization. It is shown in simulation that the proposed approach has better performance than previously published algorithms, at lower computational cost. Experimental evaluation of the algorithm performed on a converter prototype of rated power of 10 kW shows that the proposed controller is able to safely operate the converter near the thermal limit.
Multiple Stokes I inversions for inferring magnetic fields in the spectral range around Cr I 5782 Å
Authors: Kuckein C. , Balthasar H. , Quintero Noda C. , Diercke A. , Trelles Arjona J. C. , Ruiz Cobo B. , Felipe T. , Denker C. , Verma M. , Kontogiannis I. , Sobotka M.
Published: July 2021

Aims. In this work, we explore the spectral window containing Fraunhofer lines formed in the solar photosphere, around the magnetically sensitive Cr I lines at 5780.9, 5781.1, 5781.7, 5783.0, and 5783.8 Å, with Landé g-factors between 1.6 and 2.5. The goal is to simultaneously analyze 15 spectral lines, comprising Cr I, Cu I, Fe I, Mn I, and Si I lines, without the use of polarimetry, to infer the thermodynamic and magnetic properties in strongly magnetized plasmas using an inversion code.

Methods. Our study is based on a new setup at the Vacuum Tower Telescope (VTT, Tenerife), which includes fast spectroscopic scans in the wavelength range around the Cr I 5781.75 Å line. The oscillator strengths log(gf) of all spectral lines, as well as their response functions to temperature, magnetic field, and Doppler velocity, were determined using the Stokes Inversion based on Response functions (SIR) code. Snapshot 385 of the enhanced network simulation from the Bifrost code serves to synthesize all the lines, which are, in turn, inverted simultaneously with SIR to establish the best inversion strategy. We applied this strategy to VTT observations of a sunspot belonging to NOAA 12723 on 2018 September 30 and compared the results to full-disk vector field data obtained with the Helioseismic and Magnetic Imager (HMI).

Results. The 15 simultaneously inverted intensity profiles (Stokes I) delivered accurate temperatures and Doppler velocities when compared with the simulations. The derived magnetic fields and inclinations achieve the best level of accuracy when the fields are oriented along the line-of-sight (LOS) and less accurate when the fields are transverse to the LOS. In general, the results appear similar to what is reported in the HMI vector-field data, although some discrepancies exist.

Conclusions. The analyzed spectral range has the potential to deliver thermal, dynamic, and magnetic information for strongly magnetized features on the Sun, such as pores and sunspots, even without the use of polarimetry. The highest sensitivity of the lines is found in the lower photosphere, on average, around log τ = −1. The multiple-line inversions provide smooth results across the whole field of view (FOV). The presented spectral range and inversion strategy will be used for future VTT observing campaigns.
The GUAPOS project
Authors: Colzi L. , Rivilla V. M. , Beltrán M. T. , Jiménez-Serra I. , Mininni C. , Melosso M. , Cesaroni R. , Fontani F. , Lorenzani A. , Sánchez-Monge A. , Viti S. , Schilke P. , Testi L. , Alonso E. R. , Kolesniková L.
Published: July 2021

Context.Peptide-like bond molecules, which can take part in the formation of proteins in a primitive Earth environment, have been detected only towards a few hot cores and hot corinos up to now.

Aims.We present a study of HNCO, HC(O)NH2, CH3NCO, CH3C(O)NH2, CH3NHCHO, CH3CH2NCO, NH2C(O)NH2, NH2C(O)CN, and HOCH2C(O)NH2towards the hot core G31.41+0.31. The aim of this work is to study these species together to allow a consistent study among them.

Methods.We have used the spectrum obtained from the ALMA 3 mm spectral survey GUAPOS, with a spectral resolution of ~0.488 MHz (~1.3–1.7 km s−1) and an angular resolution of 1.′′2 × 1.′′2 (~4500 au), to derive column densities of all the molecular species presented in this work, together with 0.′′2 × 0.′′2 (~750 au) ALMA observations from another project to study the morphology of HNCO, HC(O)NH2, and CH3C(O)NH2.

Results.We have detected HNCO, HC(O)NH2, CH3NCO, CH3C(O)NH2, and CH3NHCHO, but no CH3CH2NCO, NH2C(O)NH2, NH2C(O)CN, or HOCH2C(O)NH2. This is the first time that these molecules have been detected all together outside the Galactic centre. We have obtained molecular fractional abundances with respect to H2from 10−7down to a few 10−9and abundances with respect to CH3OH from 10−3to ~4 × 10−2, and their emission is found to be compact (~2′′, i.e. ~7500 au). From the comparison with other sources, we find that regions in an earlier stage of evolution, such as pre-stellar cores, show abundances at least two orders of magnitude lower than those in hot cores, hot corinos, or shocked regions. Moreover, molecular abundance ratios towards different sources are found to be consistent between them within ~1 order of magnitude, regardless of the physical properties (e.g. different masses and luminosities), or the source position throughout the Galaxy. Correlations have also been found between HNCO and HC(O)NH2as well as CH3NCO and HNCO abundances, and for the first time between CH3NCO and HC(O)NH2, CH3C(O)NH2and HNCO, and CH3C(O)NH2and HC(O)NH2abundances. These results suggest that all these species are formed on grain surfaces in early evolutionary stages of molecular clouds, and that they are subsequently released back to the gas phase through thermal desorption or shock-triggered desorption.
Recovery of zinc from electric arc furnace dust by vacuum carbothermal reduction
Authors: Ma Shaobo , Zhang Zhaohui , Xu Shuxiang , Li Xintao , Feng Lu
Published: July 2021

Recently, the proportion of electric furnace steelmaking has increased rapidly, and the content of electric arc furnace dust has increased. Through comprehensive recovery of electric arc furnace dust, the harm of metallurgical solid waste can be reduced and economic value can be created. In this paper, it gives a common outline about the known recycling techniques from electric arc furnace dusts and presents the carbothermal reduction under vacuum. The evolution in reduction products in the process of vacuum carbothermal reduction of zinc-containing electric arc furnace dust is studied using the X-ray diffraction (XRD) phase and micro-morphology analysis. The thermodynamic conditions for reduction are computed using Factsage 7.1 program. Through thermodynamic study, it is found that the initial temperature of reducing zinc oxide decreases as the pressure of the system drops. In the process of the vacuum carbothermal reduction experiment, the type of reducing agent, reduction temperature, carbon content, and reaction time are studied. According to the test results, the optimum process parameters are determined as follows: reduction time 30 min, reduction temperature 1273 K. The dezincification effect of electric arc furnace dust can reach over 99%.
Radiotherapy risk management: Going beyond the concept of safety barriers
Authors: Thellier S. , Poret C. , Carminati S.
Published: July 2021

The traditional approaches to safety in risk activities have been applied to radiotherapy following the occurrence of serious accidents. This strategy is based on the characterization of specific risks and the definition of preventive and protective measures, particularly for the implementation of safety barriers. Evaluating the performance of safety barriers makes it possible, in theory, to determine the level of risk control. This article presents a literature review that highlights the limits of the safety barrier concept. To overcome these limitations, we then introduce the notion of “activities contributing to safety” (ACS). This concept allows us to better take into account the managerial, contextual, organizational and human dimensions of safety and to promote risk control through a more realistic approach.
Solutions to four open problems on quorum colorings of graphs
Authors: Sahbi Rafik
Published: July 2021

A partition π = {V1, V2,…,Vk} of the vertex set V of a graph G into k color classes Vi, with 1 ≤ i ≤ k is called a quorum coloring if for every vertex v ∈ V, at least half of the vertices in the closed neighborhood N [v] of v have the same color as v. The maximum cardinality of a quorum coloring of G is called the quorum coloring number of G and is denoted ψq (G). In this paper, we give answers to four open problems stated in 2013 by Hedetniemi, Hedetniemi, Laskar and Mulder. In particular, we show that there is no good characterization of the graphs G with ψq (G) nor for those with ψq (G) > 1 unless 𝒫 ≠ 𝒩𝒫 ∩ co – 𝒩𝒫. We also construct several new infinite families of such graphs, one of which the diameter diam (G) of G is not bounded.
Highways to Hell? Paths Towards the Formal Financial Exclusion: Empirical Lessons of the Households from Northern Hungary
Authors: Gosztonyi Márton , Havran Dániel
Published: July 2021

Whenever a household faces lack of banking payment services and access to funding, it often constraints their everyday activities and the chance to avail the financial services again. Our study explores the possible explanations of why a household becomes financially excluded in an underdeveloped area of Northern Hungary. By using a questionnaire (n = 502) in the spring of 2019, we conducted a covariance-based SEM analysis for detecting the key reasons. We find that the low level of income, high ratio of financial problems and high intensity of short-term borrowings equally and directly contribute to the financial exclusion of the households. Furthermore, we could not confirm any direct effects of the banking service availability, although bank services significantly influence an intermediary factor, which is the increasing repayment problem in the social environment. Our results verify the responsibility of the regulation in lending and debt collection to achieve a better social policy.