bluuebunny/crossref_metadata_2025 huggingface dataset:
The interplay between ranking and communities in networks
Authors: Iacovissi Laura , De Bacco Caterina
Published: May 2022

Community detection and hierarchy extraction are usually thought of as separate inference tasks on networks. Considering only one of the two when studying real-world data can be an oversimplification. In this work, we present a generative model based on an interplay between community and hierarchical structures. It assumes that each node has a preference in the interaction mechanism and nodes with the same preference are more likely to interact, while heterogeneous interactions are still allowed. The sparsity of the network is exploited for implementing a more efficient algorithm. We demonstrate our method on synthetic and real-world data and compare performance with two standard approaches for community detection and ranking extraction. We find that the algorithm accurately retrieves the overall node’s preference in different scenarios, and we show that it can distinguish small subsets of nodes that behave differently than the majority. As a consequence, the model can recognize whether a network has an overall preferred interaction mechanism. This is relevant in situations where there is no clear “a priori” information about what structure explains the observed network datasets well. Our model allows practitioners to learn this automatically from the data.
Experimental solubility and thermodynamic modeling of empagliflozin in supercritical carbon dioxide
Authors: Sodeifian Gholamhossein , Garlapati Chandrasekhar , Razmimanesh Fariba , Nateghi Hassan
Published: May 2022

The solubility of empagliflozin in supercritical carbon dioxide was measured at temperatures (308 to 338 K) and pressures (12 to 27 MPa), for the first time. The measured solubility in terms of mole faction ranged from 5.14 × 10–6 to 25.9 × 10–6. The cross over region was observed at 16.5 MPa. A new solubility model was derived to correlate the solubility data using solid–liquid equilibrium criteria combined with Wilson activity coefficient model at infinite dilution for the activity coefficient. The proposed model correlated the data with average absolute relative deviation (AARD) and Akaike’s information criterion (AICc), 7.22% and − 637.24, respectively. Further, the measured data was also correlated with 11 existing (three, five and six parameters empirical and semi-empirical) models and also with Redlich-Kwong equation of state (RKEoS) along with Kwak-Mansoori mixing rules (KMmr) model. Among density-based models, Bian et al., model was the best and corresponding AARD% was calculated 5.1. The RKEoS + KMmr was observed to correlate the data with 8.07% (correspond AICc is − 635.79). Finally, total, sublimation and solvation enthalpies of empagliflozin were calculated.
Towards defining biomarkers to evaluate concussions using virtual reality and a moving platform (BioVRSea)
Authors: Jacob Deborah , Unnsteinsdóttir Kristensen Ingunn S. , Aubonnet Romain , Recenti Marco , Donisi Leandro , Ricciardi Carlo , Svansson Halldór Á. R. , Agnarsdóttir Sólveig , Colacino Andrea , Jónsdóttir María K. , Kristjánsdóttir Hafrún , Sigurjónsdóttir Helga Á. , Cesarelli Mario , Eggertsdóttir Claessen Lára Ósk , Hassan Mahmoud , Petersen Hannes , Gargiulo Paolo
Published: May 2022

Current diagnosis of concussion relies on self-reported symptoms and medical records rather than objective biomarkers. This work uses a novel measurement setup called BioVRSea to quantify concussion status. The paradigm is based on brain and muscle signals (EEG, EMG), heart rate and center of pressure (CoP) measurements during a postural control task triggered by a moving platform and a virtual reality environment. Measurements were performed on 54 professional athletes who self-reported their history of concussion or non-concussion. Both groups completed a concussion symptom scale (SCAT5) before the measurement. We analyzed biosignals and CoP parameters before and after the platform movements, to compare the net response of individual postural control. The results showed that BioVRSea discriminated between the concussion and non-concussion groups. Particularly, EEG power spectral density in delta and theta bands showed significant changes in the concussion group and right soleus median frequency from the EMG signal differentiated concussed individuals with balance problems from the other groups. Anterior–posterior CoP frequency-based parameters discriminated concussed individuals with balance problems. Finally, we used machine learning to classify concussion and non-concussion, demonstrating that combining SCAT5 and BioVRSea parameters gives an accuracy up to 95.5%. This study is a step towards quantitative assessment of concussion.
Sensorless based SVPWM-DTC of AFPMSM for electric vehicles
Authors: Saleh Saber M. , Hassan Amir Y.
Published: May 2022

AFPMSM is lighter, has a higher power-to-weight ratio, is shorter in length, is less expensive, and has a higher efficiency than the radial flux motor. Then AFPMSM is more suitable for driving the EV than radial flux motor. The proposed technique in this paper is the sensorless-based SVPWM-DTC of AFPMSM to drive electric vehicles. Sensorless research becomes more important in this circumstance since the axial motor can be placed inside the vehicle tire due to its condensed size and shape similar to the tires. DTC provides less fluctuation for the driver during driving for safety and comfort. SVPWM is preferred for its high performance. When measuring speed using a sensorless estimator, sensor inaccuracy is minimized, and the AFPMS motor can be mounted inside the tire. The control system is tested using two EVs driving cycles, and the results promise high performance. NEDC and HWFET driving cycles are used to test the proposed control scheme in 100 times less than the actual driving cycles’ time to test the coherence of the sensorless estimator. The results demonstrate that the proposed technique is valid for real-time applications with high-performance, minimum torque fluctuations, and minimum transient and steady-state errors.
Stranded because of exhaustion while high-altitude mountaineering in the Swiss Alps: a retrospective nationwide study
Authors: Gasser Benedikt
Published: May 2022

Fortunately, fatal accidents while high-altitude mountaineering have decreased in recent years, but the number of emergencies has increased. These nonfatal emergencies might represent situations where alpinists are stranded (emergencies in which alpinists are no longer able to continue their tour on their own because of, for example, exhaustion, equipment problems, or weather). We analyzed 4596 cases of high-altitude-mountaineering emergencies in the period 2009 to 2020 from the SAC (Swiss Alpine Club) emergency registry. In total, 1951 cases (41.6%) were due to being stranded, 1348 cases were due to falls (28.7%), and 352 cases were due to illness (7.5%); these were the three most common classes. In cases of being stranded, 90% of alpinists were uninjured or not seriously injured. In addition, we found only eight fatal cases. More than 50% of cases occurred while ascending a summit above 4000 m. The main causes of becoming stranded were exhaustion and weather changes. These findings suggest that alpinists contact rescue organizations before experiencing serious troubles; these situations thus present risks and dangers both to those stranded and to emergency services. Since exhaustion and weather changes are the two main causes, adequate preparation and tour planning may help prevent such emergencies.
Clustering analysis of factors affecting academic career of university students with dyslexia in Italy
Authors: Benedetti Ilaria , Barone Marcella , Panetti Valentina , Taborri Juri , Urbani Tony , Zingoni Andrea , Calabrò Giuseppe
Published: May 2022

This study was designed to explore learning experiences of university students with dyslexia and factors that could contribute to their success in the university career. Although, great efforts have been made to diagnose dyslexia and to mitigate its effects at primary and secondary school, little has been done at the university level in particular in the Italian context. Indeed in the university context, the availability and possibility to use of support tools, that enable the student to achieve educational success, is still not sufficiently adequate. In this paper we used bivariate association tests and cluster analysis, in order to identify the most suitable compensatory tools and support strategies that can facilitate the students’ performance in higher education. The data were obtained through the voluntary participation of Italian students, enrolled in a bachelor degree course, with certified diagnosis of dyslexia. Six groups of students were identified from the cluster analysis, defining specific support tools and learning strategies for each group. Furthermore, through the creation of these six groups, it was possible to describe “profiles” that highlight the risk factors (late diagnosis) and-or protection factors (such as associations, support from friends and family) in analyzing the academic career of students with dyslexia. Therefore, starting from these data, through artificial intelligence it will be possible to identify and suggest study methodologies and create specific support tools for each student that can enable her/him to achieve educational success in her/his academic career.
Genomic determinants of Furin cleavage in diverse European SARS-related bat coronaviruses
Authors: Sander Anna-Lena , Moreira-Soto Andres , Yordanov Stoian , Toplak Ivan , Balboni Andrea , Ameneiros Ramón Seage , Corman Victor , Drosten Christian , Drexler Jan Felix
Published: May 2022

The furin cleavage site (FCS) in SARS-CoV-2 is unique within the Severe acute respiratory syndrome–related coronavirus (SrC) species. We re-assessed diverse SrC from European horseshoe bats and analyzed the spike-encoding genomic region harboring the FCS in SARS-CoV-2. We reveal molecular features in SrC such as purine richness and RNA secondary structures that resemble those required for FCS acquisition in avian influenza viruses. We discuss the potential acquisition of FCS through molecular mechanisms such as nucleotide substitution, insertion, or recombination, and show that a single nucleotide exchange in two European bat-associated SrC may suffice to enable furin cleavage. Furthermore, we show that FCS occurrence is variable in bat- and rodent-borne counterparts of human coronaviruses. Our results suggest that furin cleavage sites can be acquired in SrC via conserved molecular mechanisms known in other reservoir-bound RNA viruses and thus support a natural origin of SARS-CoV-2.
Cortical D1 and D2 dopamine receptor availability modulate methylphenidate-induced changes in brain activity and functional connectivity
Authors: Manza Peter , Shokri-Kojori Ehsan , Demiral Şükrü Barış , Wiers Corinde E. , Zhang Rui , Giddens Natasha , McPherson Katherine , Biesecker Erin , Dennis Evan , Johnson Allison , Tomasi Dardo , Wang Gene-Jack , Volkow Nora D.
Published: May 2022

Dopamine signaling plays a critical role in shaping brain functional network organization and behavior. Prominent theories suggest the relative expression of D1- to D2-like dopamine receptors shapes excitatory versus inhibitory signaling, with broad consequences for cognition. Yet it remains unknown how the balance between cortical D1R versus D2R signaling coordinates the activity and connectivity of functional networks in the human brain. To address this, we collected three PET scans and two fMRI scans in 36 healthy adults (13 female/23 male; average age 43 ± 12 years), including a baseline D1R PET scan and two sets of D2R PET scans and fMRI scans following administration of either 60 mg oral methylphenidate or placebo (two separate days, blinded, order counterbalanced). The drug challenge allowed us to assess how pharmacologically boosting dopamine levels alters network organization and behavior in association with D1R-D2R ratios across the brain. We found that the relative D1R-D2R ratio was significantly greater in high-level association cortices than in sensorimotor cortices. After stimulation with methylphenidate compared to placebo, brain activity (as indexed by the fractional amplitude of low frequency fluctuations) increased in association cortices and decreased in sensorimotor cortices. Further, within-network resting state functional connectivity strength decreased more in sensorimotor than association cortices following methylphenidate. Finally, in association but not sensorimotor cortices, the relative D1R-D2R ratio (but not the relative availability of D1R or D2R alone) was positively correlated with spatial working memory performance, and negatively correlated with age. Together, these data provide a framework for how dopamine-boosting drugs like methylphenidate alter brain function, whereby regions with relatively higher inhibitory D2R (i.e., sensorimotor cortices) tend to have greater decreases in brain activity and connectivity compared to regions with relatively higher excitatory D1R (i.e., association cortices). They also support the importance of a balanced interaction between D1R and D2R in association cortices for cognitive function and its degradation with aging.
Protocadherin 15 suppresses oligodendrocyte progenitor cell proliferation and promotes motility through distinct signalling pathways
Authors: Zhen Yilan , Cullen Carlie L. , Ricci Raphael , Summers Benjamin S. , Rehman Sakina , Ahmed Zubair M. , Foster Antoinette Y. , Emery Ben , Gasperini Robert , Young Kaylene M.
Published: May 2022

Oligodendrocyte progenitor cells (OPCs) express protocadherin 15 (Pcdh15), a member of the cadherin superfamily of transmembrane proteins. Little is known about the function of Pcdh15 in the central nervous system (CNS), however, Pcdh15 expression can predict glioma aggression and promote the separation of embryonic human OPCs immediately following a cell division. Herein, we show that Pcdh15 knockdown significantly increases extracellular signal-related kinase (ERK) phosphorylation and activation to enhance OPC proliferation in vitro. Furthermore, Pcdh15 knockdown elevates Cdc42-Arp2/3 signalling and impairs actin kinetics, reducing the frequency of lamellipodial extrusion and slowing filopodial withdrawal. Pcdh15 knockdown also reduces the number of processes supported by each OPC and new process generation. Our data indicate that Pcdh15 is a critical regulator of OPC proliferation and process motility, behaviours that characterise the function of these cells in the healthy CNS, and provide mechanistic insight into the role that Pcdh15 might play in glioma progression.
Non-collinear and asymmetric polar moments at back-gated SrTiO3 interfaces
Authors: Lyzwa Fryderyk , Pashkevich Yurii G. , Marsik Premysl , Sirenko Andrei , Chan Andrew , Mallett Benjamin P. P. , Yazdi-Rizi Meghdad , Xu Bing , Vicente-Arche Luis M. , Vaz Diogo C. , Herranz Gervasi , Cazayous Maximilien , Hemme Pierre , Fürsich Katrin , Minola Matteo , Keimer Bernhard , Bibes Manuel , Bernhard Christian
Published: May 2022

The mechanism of the gate-field-induced metal-to-insulator transition of the electrons at the interface of SrTiO3 with LaAlO3 or AlOx is of great current interest. Here, we show with infrared ellipsometry and confocal Raman spectroscopy that an important role is played by a polar lattice distortion that is non-collinear, highly asymmetric and hysteretic with respect to the gate field. The anomalous behavior and the large lateral component of the underlying local electric field is explained in terms of the interplay between the oxygen vacancies, that tend to migrate and form extended clusters at the antiferrodistortive domain boundaries, and the interfacial electrons, which get trapped/detrapped at the oxygen vacancy clusters under a positive/negative gate bias. Our findings open new perspectives for the defect engineering of lateral devices with strongly enhanced and hysteretic local electric fields that can be manipulated with various parameters, like strain, temperature, or photons.
Hierarchy of quantum non-Gaussian conservative motion
Authors: Moore Darren W. , Filip Radim
Published: May 2022

Mechanical quantum systems embedded in an external nonlinear potential currently offer the first deep excursion into quantum non-Gaussian motion. The Gaussian statistics of the motion of a linear mechanical quantum system, characterised by its mass and a linear-and-quadratic potential, possess a limited capacity to reduce noise in nonlinear variables. This limitation induces thresholds for noise reduction in nonlinear variables beyond which linear mechanical oscillators cannot pass. Squeezing below the thresholds for such variables is relevant for the implementation of nonlinear mechanical devices, such as sensors, processors or engines. First however, quantum non-Gaussian conservative motion must be identified in experiments with diverse nonlinear potentials. For this purpose, we provide sufficient criteria for quantum non-Gaussian motional states in conservative systems based on the observation of squeezing in nonlinear variables. We further extend these criteria to a hierarchy able to recognise the quantum non-Gaussian motion induced via diverse nonlinear potentials through their various capacities to produce nonlinear squeezing.
Contributions of sea–land breeze and local climate zones to daytime and nighttime heat island intensity
Authors: Yang Jun , Xin Jiaxing , Zhang Yuqing , Xiao Xiangming , Xia Jianhong Cecilia
Published: May 2022

The acceleration of global urbanization has increased the frequency of the urban heat island (UHI) effect and heatwaves, which seriously endanger human health. We used Shenzhen as a case study to examine the daytime and nighttime differences in UHI intensity (UHII), considering different local climate zones (LCZs) and sea–land breezes. The diurnal UHII was >3 °C for 52% of the study period, whereas the nocturnal UHII was >3 °C for only 26% of the study period. The average diurnal and nocturnal building-type UHII values were 2.77 and 1.11 °C higher than those of the natural type, respectively. Sea breezes alleviated the UHI effect with a linear correlation coefficient of −0.68601 between them. Moreover, diurnal and nocturnal UHII showed differences across different gradients, which can help guide urban planning.
Robust SARS-CoV-2-specific and heterologous immune responses in vaccine-naïve residents of long-term care facilities who survive natural infection
Authors: Tut Gokhan , Lancaster Tara , Butler Megan S. , Sylla Panagiota , Spalkova Eliska , Bone David , Kaur Nayandeep , Bentley Christopher , Amin Umayr , Jadir Azar T. , Hulme Samuel , Ayodel Morenike , Dowell Alexander C. , Pearce Hayden , Zuo Jianmin , Margielewska-Davies Sandra , Verma Kriti , Nicol Samantha , Begum Jusnara , Jinks Elizabeth , Tut Elif , Bruton Rachel , Krutikov Maria , Shrotri Madhumita , Giddings Rebecca , Azmi Borscha , Fuller Chris , Irwin-Singer Aidan , Hayward Andrew , Copas Andrew , Shallcross Laura , Moss Paul
Published: May 2022

We studied humoral and cellular immunity against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in 152 long-term care facility staff and 124 residents over a prospective 4-month period shortly after the first wave of infection in England. We show that residents of long-term care facilities developed high and stable levels of antibodies against spike protein and receptor-binding domain. Nucleocapsid-specific responses were also elevated but waned over time. Antibodies showed stable and equivalent levels of functional inhibition against spike-angiotensin-converting enzyme 2 binding in all age groups with comparable activity against viral variants of concern. SARS-CoV-2 seropositive donors showed high levels of antibodies to other beta-coronaviruses but serostatus did not impact humoral immunity to influenza or other respiratory syncytial viruses. SARS-CoV-2-specific cellular responses were similar across all ages but virus-specific populations showed elevated levels of activation in older donors. Thus, survivors of SARS-CoV-2 infection show a robust and stable immunity against the virus that does not negatively impact responses to other seasonal viruses.
GPU-accelerated connectome discovery at scale
Authors: Sreenivasan Varsha , Kumar Sawan , Pestilli Franco , Talukdar Partha , Sridharan Devarajan
Published: May 2022

Diffusion magnetic resonance imaging and tractography enable the estimation of anatomical connectivity in the human brain, in vivo. Yet, without ground-truth validation, different tractography algorithms can yield widely varying connectivity estimates. Although streamline pruning techniques mitigate this challenge, slow compute times preclude their use in big-data applications. We present ‘Regularized, Accelerated, Linear Fascicle Evaluation’ (ReAl-LiFE), a GPU-based implementation of a state-of-the-art streamline pruning algorithm (LiFE), which achieves >100× speedups over previous CPU-based implementations. Leveraging these speedups, we overcome key limitations with LiFE’s algorithm to generate sparser and more accurate connectomes. We showcase ReAl-LiFE’s ability to estimate connections with superlative test–retest reliability, while outperforming competing approaches. Moreover, we predicted inter-individual variations in multiple cognitive scores with ReAl-LiFE connectome features. We propose ReAl-LiFE as a timely tool, surpassing the state of the art, for accurate discovery of individualized brain connectomes at scale. Finally, our GPU-accelerated implementation of a popular non-negative least-squares optimization algorithm is widely applicable to many real-world problems.
Experimental transmission of Stony Coral Tissue Loss Disease results in differential microbial responses within coral mucus and tissue
Authors: Huntley Naomi , Brandt Marilyn E , Becker Cynthia C , Miller Carolyn A , Meiling Sonora S , Correa Adrienne M S , Holstein Daniel M , Muller Erinn M , Mydlarz Laura D , Smith Tyler B , Apprill Amy
Published: May 2022

Stony coral tissue loss disease (SCTLD) is a widespread and deadly disease that affects nearly half of Caribbean coral species. To understand the microbial community response to this disease, we performed a disease transmission experiment on US Virgin Island (USVI) corals, exposing six species of coral with varying susceptibility to SCTLD. The microbial community of the surface mucus and tissue layers were examined separately using a small subunit ribosomal RNA gene-based sequencing approach, and data were analyzed to identify microbial community shifts following disease acquisition, potential causative pathogens, as well as compare microbiota composition to field-based corals from the USVI and Florida outbreaks. While all species displayed similar microbiome composition with disease acquisition, microbiome similarity patterns differed by both species and mucus or tissue microhabitat. Further, disease exposed but not lesioned corals harbored a mucus microbial community similar to those showing disease signs, suggesting that mucus may serve as an early warning detection for the onset of SCTLD. Like other SCTLD studies in Florida, Rhodobacteraceae, Arcobacteraceae, Desulfovibrionaceae, Peptostreptococcaceae, Fusibacter, Marinifilaceae, and Vibrionaceae dominated diseased corals. This study demonstrates the differential response of the mucus and tissue microorganisms to SCTLD and suggests that mucus microorganisms may be diagnostic for early disease exposure.
Metal-catalysed C–H bond activation and borylation
Authors: Bisht Ranjana , Haldar Chabush , Hassan Mirja Md Mahamudul , Hoque Md Emdadul , Chaturvedi Jagriti , Chattopadhyay Buddhadeb
Published: May 2022

Transition metal-catalysed direct borylation of hydrocarbons via C–H bond activation has received a remarkable level of attention as a popular reaction in the synthesis of organoboron compounds owing to their synthetic versatility.
An unexpected all-metal aromatic tetranuclear silver cluster in human copper chaperone Atox1
Authors: Wang Xiuxiu , Han Zong-Chang , Wei Wei , Hu Hanshi , Li Pengfei , Sun Peiqing , Liu Xiangzhi , Lv Zhijia , Wang Feng , Cao Yi , Guo Zijian , Li Jun , Zhao Jing
Published: May 2022

Metal clusters, such as iron–sulfur clusters, play key roles in sustaining life and are intimately involved in the functions of metalloproteins.
Metabolomics-based mass spectrometry methods to analyze the chemical content of 3D organoid models
Authors: Murphy Shannon E. , Sweedler Jonathan V.
Published: May 2022

Mass spectrometry-based metabolomics approaches to characterize the complex intracellular chemistry of organoids are reviewed, expanding the field of organoid research.
The preparation of hydroxyapatite nanowires and nanorodsviaaliphatic micelles as soft templates
Authors: Zhao Junhua , Chu Tao , Hu Qin , Lei Yinlin , Liu Liu , Zhang Gongjun , Gao Chuanhua , Zhang Tianqi , Song Weijie
Published: May 2022

Hydroxyapatite nanoparticles were tunably synthesizedviathe use of an aliphatic–ethanol–water three-phase mixture system using micelles as soft templatesviaan emulsion–hydrothermal synergistic method.
Effect of the Zr promoter on precipitated iron-based catalysts for high-temperature Fischer–Tropsch synthesis of light olefins
Authors: Yang Yi , Qian Weixin , Zhang Haitao , Han Zhonghao , Ma Hongfang , Sun Qiwen , Ying Weiyong
Published: May 2022

FeMnxZr and FeMnxZr2Na catalysts prepared by coprecipitation and impregnation methods were applied to investigate the promoting effects of Zr on iron-based catalysts for high-temperature Fischer–Tropsch synthesis (HTFT).
The promoter role of sulfur in carbon nanotube growth
Authors: Orbán Balázs , Höltzl Tibor
Published: May 2022

We investigate the effect of sulfur on the interaction of iron catalyst nanoparticles and carbon nanotubes (CNTs), typically present in a floating catalyst chemical vapor deposition (FCCVD) process.
Use of heterometallic alkali metal–magnesium aryloxides in ring-opening polymerization of cyclic esters
Authors: Petrus Rafał , Lis Tadeusz , Kowaliński Adrian
Published: May 2022

The alkali metal–magnesium aryloxides of the general formula [Mg2M′2(OAr)6(THF)x] (for M′ = Li, Na, K, and x = 0, 2, 4) were used to investigate the cooperativity effect of different metal sites on the ring-opening polymerization of l-lactide.
Silver(i) complexes bearing heterocyclic thioamide ligands with NH2 and CF3 substituents: effect of ligand group substitution on antibacterial and anticancer properties
Authors: Varna Despoina , Geromichalou Elena , Hatzidimitriou Antonios G. , Papi Rigini , Psomas George , Dalezis Panagiotis , Aslanidis Paraskevas , Choli-Papadopoulou Theodora , Trafalis Dimitrios T. , Angaridis Panagiotis A.
Published: May 2022

Silver(i) complexes with NH2- and CF3-substituted thioamide ligands were synthesized, with the former exhibiting higher in vitro antibacterial and cytotoxic potency.
Five coordinated Mn in Ba4Mn2Si2Te9: synthesis, crystal structure, physical properties, and electronic structure
Authors: Yadav Sweta , Jana Subhendu , Panigrahi Gopabandhu , Malladi Sairam K. , Niranjan Manish K. , Prakash Jai
Published: May 2022

A new structure type Ba4Mn2Si2Te9 containing unique MnTe5 units is synthesized. The structure comprises two independent Mn atoms, each with 50% occupancy. It is a narrow bandgap semiconductor (Eg = 0.6(1) eV) consistent with the DFT studies.
Concentrations and isomer profiles of hexabromocyclododecanes (HBCDDs) in floor, elevated surface, and outdoor dust samples from Basrah, Iraq
Authors: Al-Omran Layla Salih , Stubbings William A. , Harrad Stuart
Published: May 2022

Within-room (between elevated surface dust and floor dust) and within-home (between indoor and outdoor dust) spatial variability in concentrations of HBCDDs were observed.
Full-scale spark mapping of elements and inclusions of a high-speed train axle billet
Authors: Sheng Liang , Yuan Liangjing , Jia Yunhai , Zhao Lei , Zhang Xiaofen , Yu Lei , Zhang Qiaochu , Wang Haizhou
Published: May 2022

The technique of Spark Mapping Analysis for Large Samples (SMALS) was developed to characterize elemental content and inclusions/carbides on the full surface of a super large sample of size 1000 × 500 mm.
Ionic liquid based dopant-free band edge shift in BiVO4 particles for photocatalysis under simulated sunlight irradiation
Authors: Khan Niqab , Wolff Rogério Nunes , Ullah Hameed , Chacón Gustavo J. , Rosa Washington Santa , Dupont Jairton , Gonçalves Renato Vitalino , Khan Sherdil
Published: May 2022

Foreign element dopant-free Ionic liquid-based synthesis can shift the band edges of a semiconductor.
Integration of carbon nanotubes and azo-coupled redox-active polymers into core–shell structured cathodes with favorable lithium storage
Authors: Ma Xiaolan , Dong Yanying , He Chengen , Jiang Nan , Yang Yingkui
Published: May 2022

Boosting high-rate lithium storage performance by core–shell heteroarchitectured cathodes consisting of conductive carbon nanotubes and redox-active azo-linked hyperbranched polymers.
Ovalbumin-coated Fe3O4nanoparticles as a nanocarrier for chlorogenic acid to promote the anticancer efficacy on MDA-MB-231 cells
Authors: Manivel Perumal , Paulpandi Manickam , Chen Xiumin
Published: May 2022

We report the synthesis of C-Fe3O4NPs@OVA as a nanocarrier for 5-CQA and found that the anticancer efficacy was significantly enhanced.
Diastereoselective construction of a library of structural bispiro[butyrolactone/valerolactone–pyrrolidine–indanedione] hybrids via 1,3-dipolar cycloaddition reactions
Authors: Zhang Lei , Quan Wei , Liu Ren-Ming , Tian You-Ping , Pan Bo-Wen , Liu Xiong-Li
Published: May 2022

The first example of the introduction of a spiroindanedione moiety into a spirobutyrolactone framework.
Low-temperature carbonization of p-Phenylenediamine guided by an iron alginate template for lithium-ion capacitors
Authors: Yang Lin , Wang Jingxian , Li Anchang , Liu Honghai , Zhang Ming , Shen Zhongrong
Published: May 2022

A 3.8 V lithium ion capacitor is constructed using lithiated Fe3C@N-doped C as the electrode.
Surface-regulated injection dose response of ultrasmall luminescent gold nanoparticles
Authors: Zhu Jiayi , Zhao Zhipeng , Chen Huarui , Chen Xinglin , Liu Jinbin
Published: May 2022

Concentration-dependent serum protein binding capabilities endow renal-clearable AuNPs with a more sensitive response to injection dose than those resistant to serum protein binding, resulting in dose-dependent tumor-targeting efficiencies.
Cascades of energy and electron transfer in a panchromatic absorber
Authors: Joseph Jan , Bauroth Stefan , Charisiadis Asterios , Charalambidis Georgios , Coutsolelos Athanassios G. , Guldi Dirk M.
Published: May 2022

A supramolecular triad consisting of boron dipyrromethene, zinc(ii) tetraphenylporphyrine and fullerene was investigated. Photophysical studies confirmed the self-assembly and cascade of energy transfer and charge separation upon photoexcitation.
Monoglycocalix[4]arene-based nanoparticles for tumor selective drug delivery via GLUT1 recognition of hyperglycolytic cancers
Authors: Zhang Lijuan , Liu Shengnan , Li Yang , Liang Min , Zhao Hongxia , Yang Wensheng
Published: May 2022

Fluorescent monoglycocalix[4]arene self-assembled nanoparticles were developed with docetaxel encapsulation for selective tumor targeting via sugar-directed GLUT1 recognition that leads to significant improvement in anticancer activity.
Influence of solvent on the RAFT-mediated polymerization of benzyl methacrylate (BzMA) and how to overcome the thermodynamic/kinetic limitation of morphology evolution during polymerization-induced self-assembly
Authors: Yang Cheng-Lin , Zhong Feng , Pan Cai-Yuan , Zhang Wen-Jian , Hong Chun-Yan
Published: May 2022

Polymerization-induced self-assembly (PISA) has been demonstrated to be a powerful strategy to produce polymeric nano-objects of various morphologies.
Synthesis of a triptycene-containing dioxazine benzoxazine monomer and a main-chain triptycene-polydimethysiloxane-benzoxazine copolymer with excellent comprehensive properties
Authors: Yang Rui , Xie Lin , Li Nan , Froimowicz Pablo , Zhang Kan
Published: May 2022

A novel triptycene-containing dioxazine benzoxazine monomer and a main-chain benzoxazine copolymer have been synthesized and their corresponding thermosets exhibit excellent thermal stability, low flammability and low dielectric constants.
KLi2CO3F: a beryllium-free KBBF-type deep-UV carbonate with an enhanced interlayer interaction and large birefringence
Authors: Wang Qiang , Song Wen , Lan Yang , Cao Liling , Huang Ling , Gao Daojiang , Bi Jian , Zou Guohong
Published: May 2022

A beryllium-free deep-UV carbonate, KLi2CO3F, has been successfully designed through chemical co-substitution with KBBF as the prototype, which exhibits an enhanced interlayer interaction and enlarged birefringence.
Insight into the relationship between redox ability and separation efficiency via the case of α-Bi2O3/Bi5NO3O7
Authors: Lia Jie-hao , Liu Rui-hong , Ning Meng , Li Yi-lei , Liu Ying , Liu Xinying , Khangale Phathutshedzo , Hildebrandt Diane , Wang Xiao-jing , Li Fa-tang
Published: May 2022

α-Bi2O3/Bi5NO3O7 heterojunctions are constructed, and show higher separation efficiency but lower photocatalytic activity. The reasons are related to the shift of energy band positions.
Cluster-luminescent polysiloxane nanomaterials: adjustable full-color ultralong room temperature phosphorescence and a highly sensitive response to silver ions
Authors: Wang Shuaiqi , Wang Xiaolang , Feng Shangwei , Lv Wei , Lin Meijuan , Ling Qidan , Lin Zhenghuan
Published: May 2022

Non-conjugated polysiloxane nanomaterials with amino and urea groups show persistent cluster-induced phosphorescence regulated by doping different small molecules, and fluorescence/phosphorescence dual responses to Ag+ in aqueous solutions.
Nickel(0)-catalysed linear-selective hydroarylation of 2-aminostyrenes with arylboronic acids by a bifunctional temporary directing group strategy
Authors: Wang Qiang , Yan Zilong , Xing Dong
Published: May 2022

We report a nickel(0)-catalyzed linear-selective hydroarylation of 2-aminostyrenes with arylboronic acids using a bifunctional temporary directing group strategy.
Cobalt-catalyzed C(sp3)–H bond functionalization to access indole derivatives
Authors: Zhang He , Yang Dandan , Zhao Xiao-Fang , Niu Jun-Long , Song Mao-Ping
Published: May 2022

A cobalt-catalyzed C(sp3)–H bond functionalization to synthesize indole derivatives is demonstrated. The highlight of this protocol is accomplished by sequential C–H activation.
Copper–iodine co-catalyzed C–H aminoalkenylation of indoles via temperature-controlled selectivity switch: facile synthesis of 2-azolyl-3-alkenylindoles
Authors: Zhang Xiaoxiang , Yu Wenhua , Nie Yiyu , Zhang Yingying , Gu Xiaoting , Wei Wanxing , Zhang Zhuan , Liang Taoyuan
Published: May 2022

An efficient copper–iodine co-catalyzed 2,3-difunctionalization of indoles with azoles and phenols via temperature-controlled selectivity switch has been developed for the green synthesis of 2-azolyl-3-alkenylindoles.
Effect of artemisinin sustained-release algaecide on the growth of Microcystis aeruginosa and the underlying physiological mechanisms
Authors: Sang Wenlu , Du Cunhao , Liu Xiaguo , Ni Lixiao , Li Shiyin , Xu Jiawei , Chen Xuqing , Xu Jian , Xu Chu
Published: May 2022

This study focuses on changes in algal density, phycobiliprotein and esterase activity of M. aeruginosa under the continuous stress of artemisinin sustained-release algaecide and the analysis of the physicochemical changes in the algae.
Preparation of modified MFI-type/PDMS composite membranes for the separation of dichlorobenzene isomersviapervaporation
Authors: He Qiu-Ping , Wang Ying-Ying , Wang Peng-Fei , Dou Xiao-Ming
Published: May 2022

Modified MFI-type/PDMS composite membranes are used to separate dichlorobenzene isomerviapervaporation for the first time, which is synthesized by incorporating modified silicalite-1 zeolites into the PDMS matrix and casting on PVDF supports.
Development of the Chemistry Mindset Instrument (CheMI) for use with introductory undergraduate chemistry students
Authors: Santos Deborah L. , Barbera Jack , Mooring Suazette R.
Published: May 2022

Chemistry education research has increasingly considered the role of affect when investigating chemistry learning environments over the past decade. Despite its popularity in educational spheres, mindset has been understudied from a chemistry-specific perspective. Mindset encompasses one's beliefs about the ability to change intelligence with effort and has been shown to be a domain-specific construct. For this reason, students’ mindset would be most relevant in chemistry if it were measured as a chemistry-specific construct. To date, no instrument has been developed for use in chemistry learning contexts. Here we present evidence supporting the development process and final product of a mindset instrument designed specifically for undergraduate chemistry students. The Chemistry Mindset Instrument (CheMI) was developed through an iterative design process requiring multiple implementations and revisions. We analyze the psychometric properties of CheMI data from a sample of introductory (general and organic) chemistry students enrolled in lecture courses. We achieved good data-model fit via confirmatory factor analysis and high reliability for the newly developed items, indicating that the instrument functions well with the target population. Significant correlations were observed for chemistry mindset with students’ self-efficacy, mastery goals, and course performance, providing external validity evidence for the construct measurement.
Motivation to learn chemistry: a thorough analysis of the CMQ-II within the Brazilian context
Authors: de Souza Renata T. M. P. , dos Santos Barbosa da Silva Matheus , L. Barbato Daniela M. , Guzzi Mara Eugênia Ruggiero de , Kasseboehmer Ana Cláudia
Published: May 2022

Studies on students’ motivation to learn Chemistry in developed countries are largely common in the literature. However, very few studies have been carried out with a view to investigating students' motivation to learn Chemistry in places like Latin America, and specifically in Brazil. The present study sought to translate the Chemistry Motivation Questionnaire II (CMQ-II) with a view to evaluating the motivation to learn Chemistry among Brazilian high school students. The study was conducted using responses obtained from 510 high school students who completed the CMQ-II during the COVID-19 pandemic. Exploratory factor analysis, confirmatory factor analysis and analysis of model invariance between genders were carried out in order to compare the results obtained with those of the other studies conducted using the CMQ-II. The results obtained from this investigation showed that the CMQ-II had a five-factor structure with factor loadings ≥0.52 and Cronbach'sα≥ 0.81. Multivariate analysis was also carried out with respect to gender differences, and the results obtained showed that Brazilian boys had higher confidence when it comes to learning Chemistry, while the girls mostly studied Chemistry to obtain a good grade or because of the importance of the discipline in their imagined future career. The findings show that the Brazilian version of CMQ-II applied in this study seems to provide a consistent scale of analysis compared to that reported in the literature.
New insights into the folding–unfolding mechanism and conformations of cytochrome C
Authors: Li Jiayu , Li Hongbin
Published: May 2022

Optical trapping experiments offer new insights into the folding and unfolding of cytochrome C.
Iminyl radical-triggered relay annulation for the construction of bridged aza-tetracycles bearing four contiguous stereogenic centers
Authors: Jiang Kun , Li Shi-Jun , Liu Qing-Peng , Yu Ning , Li Yu-Lin , Zhou Yu-Qiang , He Kui-Cheng , Lin Jing , Zheng Ting-Yu , Lang Jian , Lan Yu , Wei Ye
Published: May 2022

A novel radical relay annulation is realized for the construction of various bridged aza-tetracyclic compounds with complex molecular topology and four contiguous stereogenic centers (dr > 19 : 1) in a single operation.
Three-component carboacylation of alkenes via cooperative nickelaphotoredox catalysis
Authors: Wang Dingyi , Ackermann Lutz
Published: May 2022

Various commercially available acyl chlorides, aldehydes, and alkanes were exploited for versatile three-component 1,2-carboacylations of alkenes to forge two vicinal C–C bonds through the cooperative action of nickel and sodium decatungstate catalysis.
MXene-based multifunctional smart fibers for wearable and portable electronics
Authors: Qin Leiqiang , Jiang Jianxia , Hou Lintao , Zhang Fengling , Rosen Johanna
Published: May 2022

Mo1.33C i-MXene nanosheets and poly(3,4-ethylenedioxythiophene):polystyrene sulfonate multifunctional hybrid smart fiber is fabricated with an easily scalable spinning approach and can be used for both supercapacitors and electrochemical transistors.
The degradation and recovery behavior of mixed-cation perovskite solar cells in moisture and a gas mixture environment
Authors: Wenson George , Thakkar Harshul , Tsai Hsinhan , Stein Joshua , Singh Rajinder , Nie Wanyi
Published: May 2022

Perovskite solar cell stability was investigated in moisture and gas mixtures. Moisture accelerates the degradation rate, but once light is removed, the performance is recoverable.
Doxycycline detection and degradation in aqueous media via simultaneous synthesis of Fe-N@carbon dots and Fe3O4-carbon dot hybrid nanoparticles: a one arrow two hawk approach
Authors: Kaur Navpreet , Tiwari Pranav , Abbas Zahir , Mobin Shaikh M.
Published: May 2022

The one-pot synthesis of Fe doped carbon dots (Fe-N@CDs) and its composite with Fe3O4 nanoparticles (Fe3O4-CDs) for detection and degradation of doxycycline.
Emerging polymer electrets for transistor-structured memory devices and artificial synapses
Authors: Chang Ting-Wei , Li Yun-Shan , Matsuhisa Naoji , Shih Chien-Chung
Published: May 2022

This review was aimed to analyze existing polymer-based technologies for electrets used in memory devices and artificial synapses. We categorize five types of electrets and analyze their performance, characteristics, applicability, and limitations.
Transient optical absorption as a powerful tool for engineering of lead tungstate scintillators towards faster response
Authors: Tamulaitis Gintautas , Nargelas Saulius , Korjik Mikhail , Mechinsky Vitaliy , Talochka Yauheni , Vaitkevičius Augustas , Vasil’ev Andrey
Published: May 2022

Transient optical techniques are exploited to study the origin of accelerated luminescence decay in heavily doped lead tungstate scintillators.
A 2-in-1 multi-functional sensor for efficient epinephrine detection based on a cucurbit[7]uril functionalized lanthanide metal–organic framework and its intelligent application in a molecular robot
Authors: Zhang Yu , Yan Bing
Published: May 2022

The immediate identification of disease analytes in the human body requires a facile sensing method with high reliability and selectivity.
X-ray pulsar HD 49798: a contracting white dwarf with a debris disk?
Authors: Chen Wen-Cong
Published: May 2022

HD 49798/RX J0648.0C4418 is a peculiar binary including a hot subdwarf of O spectral type and a compact companion in a 1.55 day orbit. Based on the steady spin period derivative Ṗ = (−2.17 ± 0.01) × 10−15 s s−1 , the compact object was thought to be a contracting young white dwarf (WD). However, the X-ray luminosity produced by the wind accretion of the massive WD is one order of magnitude smaller than the observed value. In this work, we propose an alternative model to account for the observed X-ray luminosity. If the WD were surrounded by a debris disk, the accretion from the debris disk could produce the observed X-ray luminosity and X-ray pulses. Based on the time-varying accretion rate model, the current mass of the debris disk is constrained to 3.9 × 10−6 M⊙. The accretion torque exerted by such a debris disk can only influence the spin evolution of the WD in the early stages, and its affect is obviously smaller than that caused by the contraction of the WD in the current stage. According to accretion theory, the magnetic field of the WD is constrained to ∼(0.7−7) × 104 G. The calculated conventional polar cap radius of the WD is larger than the observed emitting-zone radius, which probably originates from the existence of strong and small-scale local magnetic field in the polar cap surface. We expect that further multiband observations of this source could help us to confirm or rule out the existence of a debris disk.
Efficacy of aerobic and resistance exercises in improving visceral adipose in patients with non-alcoholic fatty liver: a meta-analysis of randomized controlled trials
Authors: Fu Lixiang , Zhang Wenyue , Ao Yupei , Zheng Zhongling , Hu Huaidong
Published: May 2022

Background Non-alcoholic fatty liver disease (NAFLD) is a common chronic disease that can cause liver deterioration if insufficiently diagnosed and untreated. The verification of whether exercise interventions improve liver enzymes and lipid and glucose parameters is scant.

Aim We conducted this systematic review and meta-analysis to examine the efficacy of aerobic and resistance exercise interventions in patients with NAFLD.

Methods We searched the related studies in the PubMed, Embase, Cochrane Library, and Web of Science databases. We screened 1129 articles published before September 1, 2021, based on the inclusion and exclusion standards, after which 17 articles with a total of 1168 participants were finally included. The indices of liver enzymes and lipid and glucose metabolism were gathered and examined by Stata SE.

Results The outcomes suggested that aerobic and resistance exercise can markedly improve the parameters of liver enzymes, blood lipids, and glucose, and especially visceral adipose tissue (weighted mean different [WMD] = −8.3 at 95% CI [−11.59 to −5.00], p < 0.0001), in patients with NAFLD.

Conclusion This study demonstrated that aerobic and resistance exercises positively affect NAFLD treatment. To further quantify the effects on patients with NAFLD, a more specific and uniform exercise program should be proposed.
Performance measures for the SACRED team-centered approach to advanced gastrointestinal endoscopy: European Society of Gastrointestinal Endoscopy (ESGE) Quality Improvement Initiative
Authors: Ching Hey-Long , Lau Michelle S. , Azmy Iman A. , Hopper Andrew D. , Keuchel Martin , Gyökeres Tibor , Kuvaev Roman , Macken Elisabeth J. , Bhandari Pradeep , Thoufeeq Mo , Leclercq Philippe , Rutter Matthew D. , Veitch Andrew M. , Bisschops Raf , Sanders David S.
Published: May 2022

The European Society of Gastrointestinal Endoscopy and United European Gastroenterology have defined performance measures for upper and lower gastrointestinal, pancreaticobiliary, and small-bowel endoscopy. Quality indicators to guide endoscopists in the growing field of advanced endoscopy are also underway. We propose that equal attention is given to developing the entire advanced endoscopy team and not the individual endoscopist alone.

We suggest that the practice of teams intending to deliver high quality advanced endoscopy is underpinned by six crucial principles concerning: selection, acceptance, complications, reconnaissance, envelopment, and documentation (SACRED).