bluuebunny/crossref_metadata_2025 huggingface dataset:
Integrating charge mobility, stability and stretchability within conjugated polymer films for stretchable multifunctional sensors
Authors: Son Sung Yun , Lee Giwon , Wang Hongyu , Samson Stephanie , Wei Qingshan , Zhu Yong , You Wei
Published: May 2022

Conjugated polymers (CPs) are promising semiconductors for intrinsically stretchable electronic devices. Ideally, such CPs should exhibit high charge mobility, excellent stability, and high stretchability. However, converging all these desirable properties in CPs has not been achieved via molecular design and/or device engineering. This work details the design, synthesis and characterization of a random polythiophene (RP-T50) containing ~50 mol% of thiophene units with a thermocleavable tertiary ester side chain and ~50 mol% of unsubstituted thiophene units, which, upon thermocleavage of alkyl chains, shows significant improvement of charge mobility and stability. Thermal annealing a RP-T50 film coated on a stretchable polydimethylsiloxane substrate spontaneously generates wrinkling in the polymer film, which effectively enhances the stretchability of the polymer film. The wrinkled RP-T50-based stretchable sensors can effectively detect humidity, ethanol, temperature and light even under 50% uniaxial and 30% biaxial strains. Our discoveries offer new design rationale of strategically applying CPs to intrinsically stretchable electronic systems.
Chiral emergence in multistep hierarchical assembly of achiral conjugated polymers
Authors: Park Kyung Sun , Xue Zhengyuan , Patel Bijal B. , An Hyosung , Kwok Justin J. , Kafle Prapti , Chen Qian , Shukla Diwakar , Diao Ying
Published: May 2022

Intimately connected to the rule of life, chirality remains a long-time fascination in biology, chemistry, physics and materials science. Chiral structures, e.g., nucleic acid and cholesteric phase developed from chiral molecules are common in nature and synthetic soft materials. While it was recently discovered that achiral but bent-core mesogens can also form chiral helices, the assembly of chiral microstructures from achiral polymers has rarely been explored. Here, we reveal chiral emergence from achiral conjugated polymers, in which hierarchical helical structures are developed through a multistep assembly pathway. Upon increasing concentration beyond a threshold volume fraction, dispersed polymer nanofibers form lyotropic liquid crystalline (LC) mesophases with complex, chiral morphologies. Combining imaging, X-ray and spectroscopy techniques with molecular simulations, we demonstrate that this structural evolution arises from torsional polymer molecules which induce multiscale helical assembly, progressing from nano- to micron scale helical structures as the solution concentration increases. This study unveils a previously unknown complex state of matter for conjugated polymers that can pave way to a field of chiral (opto)electronics. We anticipate that hierarchical chiral helical structures can profoundly impact how conjugated polymers interact with light, transport charges, and transduce signals from biomolecular interactions and even give rise to properties unimagined before.
Co-infection with SARS-CoV-2 Omicron and Delta variants revealed by genomic surveillance
Authors: Rockett Rebecca J. , Draper Jenny , Gall Mailie , Sim Eby M. , Arnott Alicia , Agius Jessica E. , Johnson-Mackinnon Jessica , Fong Winkie , Martinez Elena , Drew Alexander P. , Lee Clement , Ngo Christine , Ramsperger Marc , Ginn Andrew N. , Wang Qinning , Fennell Michael , Ko Danny , Hueston Linda , Kairaitis Lukas , Holmes Edward C. , O’Sullivan Matthew N. , Chen Sharon C.-A. , Kok Jen , Dwyer Dominic E. , Sintchenko Vitali
Published: May 2022

Co-infections with different variants of SARS-CoV-2 are a key precursor to recombination events that are likely to drive SARS-CoV-2 evolution. Rapid identification of such co-infections is required to determine their frequency in the community, particularly in populations at-risk of severe COVID-19, which have already been identified as incubators for punctuated evolutionary events. However, limited data and tools are currently available to detect and characterise the SARS-CoV-2 co-infections associated with recognised variants of concern. Here we describe co-infection with the SARS-CoV-2 variants of concern Omicron and Delta in two epidemiologically unrelated adult patients with chronic kidney disease requiring maintenance haemodialysis. Both variants were co-circulating in the community at the time of detection. Genomic surveillance based on amplicon- and probe-based sequencing using short- and long-read technologies identified and quantified subpopulations of Delta and Omicron viruses in respiratory samples. These findings highlight the importance of integrated genomic surveillance in vulnerable populations and provide diagnostic pathways to recognise SARS-CoV-2 co-infection using genomic data.
Microcomb-driven silicon photonic systems
Authors: Shu Haowen , Chang Lin , Tao Yuansheng , Shen Bitao , Xie Weiqiang , Jin Ming , Netherton Andrew , Tao Zihan , Zhang Xuguang , Chen Ruixuan , Bai Bowen , Qin Jun , Yu Shaohua , Wang Xingjun , Bowers John E.
Published: May 2022

Microcombs have sparked a surge of applications over the past decade, ranging from optical communications to metrology1–4. Despite their diverse deployment, most microcomb-based systems rely on a large amount of bulky elements and equipment to fulfil their desired functions, which is complicated, expensive and power consuming. By contrast, foundry-based silicon photonics (SiPh) has had remarkable success in providing versatile functionality in a scalable and low-cost manner5–7, but its available chip-based light sources lack the capacity for parallelization, which limits the scope of SiPh applications. Here we combine these two technologies by using a power-efficient and operationally simple aluminium-gallium-arsenide-on-insulator microcomb source to drive complementary metal–oxide–semiconductor SiPh engines. We present two important chip-scale photonic systems for optical data transmission and microwave photonics, respectively. A microcomb-based integrated photonic data link is demonstrated, based on a pulse-amplitude four-level modulation scheme with a two-terabit-per-second aggregate rate, and a highly reconfigurable microwave photonic filter with a high level of integration is constructed using a time-stretch approach. Such synergy of a microcomb and SiPh integrated components is an essential step towards the next generation of fully integrated photonic systems.
High-charge electron beams from a laser-wakefield accelerator driven by a CO2 laser
Authors: Brunetti Enrico , Campbell R. Neil , Lovell Jack , Jaroszynski Dino A.
Published: May 2022

Laser-wakefield accelerators (LWFAs) driven by widely available 100s TW-class near-infrared laser systems have been shown to produce GeV-level electron beams with 10s–100s pC charge in centimetre-scale plasma. As the strength of the ponderomotive force is proportional to the square of the laser wavelength, more efficient LWFAs could be realised using longer wavelength lasers. Here we present a numerical study showing that $$10.6\,\upmu \hbox {m}$$

10.6

μ
m

, sub-picosecond CO2 lasers with peak powers of 100–800 TW can produce high-charge electron beams, exceeding that possible from LWFAs driven by femtosecond near-infrared lasers by up to three orders of magnitude. Depending on the laser and plasma parameters, electron beams with 10s MeV to GeV energy and 1–100 nC charge can be generated in 10–200 mm long plasma or gas media without requiring external guiding. The laser-to-electron energy conversion efficiency can be up to 70% and currents of 100s kA are achievable. A CO2 laser driven LWFA could be useful for applications requiring compact and industrially robust accelerators and radiations sources.
Indeterminacy of cannabis impairment and ∆9-tetrahydrocannabinol (∆9-THC) levels in blood and breath
Authors: Wurz Gregory T. , DeGregorio Michael W.
Published: May 2022

Previous investigators have found no clear relationship between specific blood concentrations of ∆9-tetrahydrocannabinol (∆9-THC) and impairment, and thus no scientific justification for use of legal “per se” ∆9-THC blood concentration limits. Analyzing blood from 30 subjects showed ∆9-THC concentrations that exceeded 5 ng/mL in 16 of the 30 subjects following a 12-h period of abstinence in the absence of any impairment. In blood and exhaled breath samples collected from a group of 34 subjects at baseline prior to smoking, increasing breath ∆9-THC levels were correlated with increasing blood levels (P < 0.0001) in the absence of impairment, suggesting that single measurements of ∆9-THC in breath, as in blood, are not related to impairment. When post-smoking duration of impairment was compared to baseline ∆9-THC blood concentrations, subjects with the highest baseline ∆9-THC levels tended to have the shortest duration of impairment. It was further shown that subjects with the shortest duration of impairment also had the lowest incidence of horizontal gaze nystagmus at 3 h post-smoking compared to subjects with the longest duration of impairment (P < 0.05). Finally, analysis of breath samples from a group of 44 subjects revealed the presence of transient cannabinoids such as cannabigerol, cannabichromene, and ∆9-tetrahydrocannabivarin during the peak impairment window, suggesting that these compounds may be key indicators of recent cannabis use through inhalation. In conclusion, these results provide further evidence that single measurements of ∆9-THC in blood, and now in exhaled breath, do not correlate with impairment following inhalation, and that other cannabinoids may be key indicators of recent cannabis inhalation.
A noninvasive artificial neural network model to predict IgA nephropathy risk in Chinese population
Authors: Hou Jie , Fu Shaojie , Wang Xueyao , Liu Juan , Xu Zhonggao
Published: May 2022

Renal biopsy is the gold standard for Immunoglobulin A nephropathy (IgAN) but poses several problems. Thus, we aimed to establish a noninvasive model for predicting the risk probability of IgAN by analyzing routine and serological parameters. A total of 519 biopsy-diagnosed IgAN and 211 non-IgAN patients were recruited retrospectively. Artificial neural networks and logistic modeling were used. The receiver operating characteristic (ROC) curve and performance characteristics were determined to compare the diagnostic value between the two models. The training and validation sets did not differ significantly in terms of any variables. There were 19 significantly different parameters between the IgAN and non-IgAN groups. After multivariable logistic regression analysis, age, serum albumin, serum IgA, serum immunoglobulin G, estimated glomerular filtration rate, serum IgA/C3 ratio, and hematuria were found to be independently associated with the presence of IgAN. A backpropagation network model based on the above parameters was constructed and applied to the validation cohorts, revealing a sensitivity of 82.68% and a specificity of 84.78%. The area under the ROC curve for this model was higher than that for logistic regression model (0.881 vs. 0.839). The artificial neural network model based on routine markers can be a valuable noninvasive tool for predicting IgAN in screening practice.
Health risk assessment of polycyclic aromatic hydrocarbons in individuals living near restaurants: a cross-sectional study in Shiraz, Iran
Authors: Shamsedini Narges , Dehghani Mansooreh , Samaei Mohammadreza , Azhdarpoor Aboolfazl , Hoseini Mohammad , Fararouei Mohammad , Bahrany Shayan , Roosta Sareh
Published: May 2022

Polycyclic aromatic hydrocarbons (PAHs) are persistent toxic substances that have ubiquitous presence in water, air, soil, and sediment environments, posing serious environmental risks. The present study aimed to investigate the concentrations of urinary PAHs and their health effects in individuals living near restaurants via a health risk assessment analysis. This cross-sectional study was performed on 57 people living near restaurants and 30 individuals as the control group. Five urinary metabolites of PAHs were monitored. In order to evaluate the effects of the urinary metabolites of PAHs on Malondialdehyde (MDA) concentration, Total Anti-oxidation Capacity (TAC) in urine samples, and C-Reactive Protein (CRP) in serum samples, regression model was used by considering the effects of the possible confounding factors. Non-carcinogenic health risk was calculated, as well. The median concentration of urinary PAHs was 1196.70 and 627.54 ng/g creatinine in the people living near restaurants and the control group, respectively. Among the metabolites, the lowest and highest mean concentrations were related to 9-OHPhe and 1-OHP, respectively in the two study groups. Moreover, PAHs were significantly associated with MDA level and TAC (p < 0.05). Hazard Quotient (HQ) and Hazard Index (HI) were less than 1. Long-term studies are required to determine the actual health effects by identifying the sources of PAHs emission and to find ways to decrease the production of these compounds.
Results of screening in early and advanced thoracic malignancies in the EORTC pan-European SPECTAlung platform
Authors: Morfouace M. , Novello S. , Stevovic A. , Dooms C. , Janžič U. , Berghmans T. , Dziadziuszko R. , Gorlia T. , Felip E. , Paz-Ares L. , Mazieres J. , O’Brien M. , Bironzo P. , Vansteenkiste J. , Lacroix L. , Dingemans A. C. , Golfinopoulos V. , Besse B.
Published: May 2022

Access to a comprehensive molecular alteration screening is patchy in Europe and quality of the molecular analysis varies. SPECTAlung was created in 2015 as a pan-European screening platform for patients with thoracic malignancies. Here we report the results of almost 4 years of prospective molecular screening of patients with thoracic malignancies, in terms of quality of the program and molecular alterations identified. Patients with thoracic malignancies at any stage of disease were recruited in SPECTAlung, from June 2015 to May 2019, in 7 different countries. Molecular tumour boards were organised monthly to discuss patients’ molecular and clinical profile and possible biomarker-driven treatments, including clinical trial options. FFPE material was collected and analysed for 576 patients with diagnosis of pleural, lung, or thymic malignancies. Ultimately, 539 patients were eligible (93.6%) and 528 patients were assessable (91.7%). The turn-around time for report generation and molecular tumour board was 214 days (median). Targetable molecular alterations were observed in almost 20% of cases, but treatment adaptation was low (3% of patients). SPECTAlung showed the feasibility of a pan-European screening platform. One fifth of the patients had a targetable molecular alteration. Some operational issues were discovered and adapted to improve efficiency.
Spatial and temporal distribution of population in urban agglomerations changes in China
Authors: Lyu Yanming , Jiang Fangye
Published: May 2022

The spatial distribution of the urban agglomeration population has changed increasingly in rapid urbanization. It affects the urban economy, environment, transportation, and so on. Therefore, it is of great significance to understand the changes in the spatial distribution of population in urban agglomerations. This study used methods such as population center of gravity migration and Gini coefficient to explore changes in the spatial distribution of urban populations. The study found that the population center of the Beijing-Tianjin-Hebei urban agglomeration first migrated toward Beijing and then away from Beijing. During this process, the Gini coefficient increased from 0.62 to 0.64 and then decreased to 0.58, indicating that the population balance of the urban agglomeration firstly increased and then decreased. This result is consistent with the conclusion that we have established a simulated urban agglomeration for theoretical derivation. That is: in the early stage of urban agglomeration development, the population migrated to the central city; as the population of the central city became saturated, the urban agglomeration developed to a mature stage, and the population began to migrate to the peripheral cities. In this process, the population distribution center of urban agglomeration gradually shifted from central towns to peripheral towns. The degree of equilibrium in the spatial distribution of population has undergone an inverted u-shaped transition from non-equilibrium to equilibrium.
Complex spatial light modulation capability of a dual layer in-plane switching liquid crystal panel
Authors: Jang Seong-Woo , Choi Wonwoo , Kim Soobin , Lee Jonghyun , Na Sehwan , Ham Sangwon , Park Juseong , Kang Hoon , Ju Byeong-Kwon , Kim Hwi
Published: May 2022

Complex spatial light modulator (SLM), which can simultaneously control the amplitude and phase of light waves, is a key technology for wide-range of wave-optic technologies including holographic three-dimensional displays. This paper presents a flat panel complex spatial light modulator that consists of dual in-plane switching liquid crystal panels with double-degrees of freedom of voltage inputs. The proposed architecture features single-pixel level complex light modulation enabling complex light modulation in entire free space, which is most contrast to conventional macro-pixel based complex modulation techniques. Its complex light modulation capability is verified with theoretical simulation and experimental characterization, and a three-dimensional holographic image reconstruction without conjugate noise. It is believed that the proposed flat panel complex SLM can be an essential device for a wide range of advanced wave optic technologies.
Panx1 channels promote both anti- and pro-seizure-like activities in the zebrafish via p2rx7 receptors and ATP signaling
Authors: Whyte-Fagundes Paige , Taskina Daria , Safarian Nickie , Zoidl Christiane , Carlen Peter L. , Donaldson Logan W. , Zoidl Georg R.
Published: May 2022

The molecular mechanisms of excitation/inhibition imbalances promoting seizure generation in epilepsy patients are not fully understood. Evidence suggests that Pannexin1 (Panx1), an ATP release channel, modulates the excitability of the brain. In this report, we performed electrophysiological, behavioral, and molecular phenotyping experiments on zebrafish larvae bearing genetic or pharmacological knockouts of Panx1a and Panx1b channels, each homologous to human PANX1. When Panx1a function is lost, or both channels are under pharmacological blockade, seizures with ictal-like events and seizure-like locomotion are reduced in the presence of pentylenetetrazol. Transcriptome profiling by RNA-seq demonstrates a spectrum of distinct metabolic and cell signaling states which correlate with the loss of Panx1a. Furthermore, the pro- and anticonvulsant activities of both Panx1 channels affect ATP release and involve the purinergic receptor P2rx7. Our findings suggest a subfunctionalization of Panx1 enabling dual roles in seizures, providing a unique and comprehensive perspective to understanding seizure mechanisms in the context of this channel.
Theoretical investigation of the cooperative effect of solvent: a case study
Authors: Porto Caio M. , Santana Lucas C. , Morgon Nelson H.
Published: May 2022

The hybrid solvation model significantly affects kinetics, charge distribution and energy, and may be imperative to some reaction mechanism studies.
Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations
Authors: Opoku Richard A. , Toubin Céline , Gomes André Severo Pereira
Published: May 2022

Exploring the K and L-edge spectra of chlorine species on ice and in liquid solutions via relativistic EOM-IP-in-DFT embedding calculations.
Binding properties of flowing fibrin-targeted microbubbles evaluated with a thrombus-embedded microchannel
Authors: Li Jiang , Zhang Yuan , Zou Chenghong , Chen Yuexin , Li Yongjian , Chen Haosheng
Published: May 2022

We design a thrombus-embedded microchannel and verify that our fibrin-targeted microbubbles bind firmly to the thrombus under blood flow shear rates.
Identification and validation of novel microtubule suppressors with an imidazopyridine scaffold through structure-based virtual screening and docking
Authors: Elseginy Samia A. , Oliveira A. Sofia F. , Shoemark Deborah K. , Sessions Richard B.
Published: May 2022

A fast and effective route to find compounds targeting mitosis. New compounds towards cancer therapeutics.
Peptide functionalized DNA hydrogel enhances neuroblastoma cell growth and differentiation
Authors: Hivare Pravin , Gangrade Ankit , Swarup Gitanjali , Bhavsar Krishna , Singh Ankur , Gupta Ratnika , Thareja Prachi , Gupta Sharad , Bhatia Dhiraj
Published: May 2022

Designing programmable biomaterials that could act as extracellular matrices and permit functionalization is a current need for tissue engineering advancement.
AI and computational chemistry-accelerated development of an alotaketal analogue with conventional PKC selectivity
Authors: Maki Jumpei , Oshimura Asami , Tsukano Chihiro , Yanagita Ryo C. , Saito Yutaka , Sakakibara Yasubumi , Irie Kazuhiro
Published: May 2022

We have designed and synthesized a new PKC ligand with a novel skeleton based on alotaketals through in silico screening, docking analysis, and molecular dynamics simulation. The new ligand has a higher affinity for PKCα-C1A than for PKCδ-C1B.
Ring-opening of a thorium cyclopropenyl complex generates a transient thorium-bound carbene
Authors: Kent Greggory T. , Yu Xiaojuan , Wu Guang , Autschbach Jochen , Hayton Trevor W.
Published: May 2022

Thermolysis of [Cp3Th(3,3-diphenylcyclopropenyl)] results in isomerization to the ring-opened product, [Cp3Th(3-phenyl-1H-inden-1-yl)] via a transient carbene intermediate.
Amorphous phase-mediated crystallization of calcium pyrophosphate tetrahydrate: the role of alkaline earth metal ions
Authors: Cui Shiwen , Su Yuan , Cai Ting
Published: May 2022

The crystallization of calcium pyrophosphate tetrahydrate follows a multistep pathway through an amorphous precursor. The amorphous precursor can be stabilized by the surface adsorption of alkaline earth metal ions.
Effective role of Rb doping in controlling the crystallization, crystal imperfections, and microstructural and morphological features of ZnO-NPs synthesized by the sol–gel approach
Authors: Sa'aedi Abdolhossein , Akl Alaa Ahmed , Hassanien Ahmed Saeed
Published: May 2022

This article is allocated to synthesizing pure ZnO and Rb-doped ZnO nanoparticles, RbxZn1−xO-NPs via the sol–gel technique and then studying the effect of Rb doping ZnO on the crystal structure, microstructure parameters and morphology of the host lattice.
Determining nanorod dimensions in dispersion with size anisotropy nanoparticle tracking analysis
Authors: Hoffmann William H. , Gao Bo , Mulkerns Niall M. C. , Hinton Alexander G. , Hanna Simon , Hall Simon R. , Gersen Henkjan
Published: May 2022

Size anisotropy nanoparticle tracking analysis uses diffusion and scattering polarisation state to measure nanorod dimensions in dispersion.
Small practical cluster models for perovskites based on the similarity criterion of central location environment and their applications
Authors: Chen Yan , Ding Xunlei , Yang Luona , Wang Yaya , Gurti Joseph Israel , Wang Mengmeng , Li Wei , Wang Xin , Yang Weijie
Published: May 2022

Construction of practical cluster models with a similar chemical environment to the bulk phase: from small to big.
Catalyst-free CO2 hydrogenation with BH3NH3 in water: DFT mechanistic insights
Authors: Qu Zheng-Wang , Zhu Hui , Streubel Rainer , Grimme Stefan
Published: May 2022

The mechanism of CO2 hydrogenation with BH3NH3 in water as a protic and green solvent to produce formate salts with an additional base is explored by DFT calculations, paving the way to more atom-efficient CO2 reduction under milder conditions.
Electrochemical evaluation of the de-/re-activation of oxygen evolving Ir oxide
Authors: Papakonstantinou Georgios , Spanos Ioannis , Dam An Phuc , Schlögl Robert , Sundmacher Kai
Published: May 2022

Reversible OER de-/re-activation is linked with de-/re-hydration of IrOxduring oxidation/reduction. Uninterrupted dehydration induces irreversible degradation due to condensation by electro-crystallization.
Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach
Authors: Hawkins Bryson A. , Najib Elias , Du Jonathan J. , Lai Felcia , Platts James A. , Groundwater Paul W. , Hibbs David E.
Published: May 2022

This study investigated and rationalised the fluorescence modulation of 7-hydroxycoumarin in response to changing concentrations of 2-methylimidazole using low-cost quantum mechanical calculations from single crystal X-ray geometries.
Correction: Character angle effects on dissociated dislocation core energy in aluminum
Authors: Zhou X. W. , Foster M. E.
Published: May 2022

Correction for ‘Character angle effects on dissociated dislocation core energy in aluminum’ by X. W. Zhou et al., Phys. Chem. Chem. Phys., 2021, 23, 3290–3299, DOI: https://doi.org/10.1039/D0CP05333C.
Organic redox polymers as electrochemical energy materials
Authors: Nishide Hiroyuki
Published: May 2022

The review provides basic insight into organic redox polymers: efficient charge propagation and storage among the highly populated redox active/bistable sites, as well as their functions in environmentally-friendly applications.
Synthesis of a green magnetic biopolymer derived from oak fruit hull tannin for the efficient and simultaneous adsorption of a mixture of Malachite Green and Sunset Yellow dyes from aqueous solutions
Authors: Sadegh Negar , Haddadi Hedayat , Asfaram Arash
Published: May 2022

A novel green magnetic adsorb was fabricated using Oak fruit hull tannin.
A simple single-thiophene derivative assists efficient as-cast ternary organic solar cells through Förster resonance energy transfer
Authors: Gao Xuyu , Tao Xianwang , Xu Yuanyuan , Song Xiaochen , Wang Huabin , Yu Ruitao , Ye Jian , Tao Youtian
Published: May 2022

Blending the single-thiophene derivative TTZD contributes to improved photovoltaic performance through utilizing an efficient Förster resonance energy transfer (FRET) process.
Competing oxidation mechanisms in Cu nanoparticles and their plasmonic signatures
Authors: Nilsson Sara , Nielsen Monia R. , Fritzsche Joachim , Langhammer Christoph , Kadkhodazadeh Shima
Published: May 2022

Direct observation of Cu nanoparticles during oxidation reveals a rich sequence of mechanisms driving the reaction.
Combined physical confinement and chemical adsorption on co-doped hollow TiO2 for long-term cycle lithium–sulfur batteries
Authors: Zeng Shuaibo , Peng Jing , Liang Xinghua , Wu Xi , Zheng Haorong , Zhong Hai , Guo Tuan , Luo Shihan , Hong Jingyin , Li Yongyi , Wu Qiang , Xu Wei
Published: May 2022

The co-dope hollow TiO2 sphere is achieved via sacrificial template and thermal treatment methods, which remarkably enhances performances of Li–S battery due to the chemical absorption and physical containment to soluble lithium polysulfides.
A dual-channel chemodosimetric sensor for discrimination between hypochlorite and nerve-agent mimic DCP: application on human breast cancer cells
Authors: Mandal Moumi , Guria Uday Narayan , Halder Satyajit , Karak Anirban , Banik Dipanjan , Jana Kuladip , Kar Arik , Mahapatra Ajit Kumar
Published: May 2022

A styryl bridge containing triphenylamine-thioimidazole hydrazine-based fluorescent dye has been designed to selectively sense nerve-agent mimic DCP and toxic OCl- anion. It also used for the detection of human breast cancer cell.
Copper-catalyzed C-3 benzylation of quinoxalin-2(1H)-ones with benzylsulfonyl hydrazides
Authors: Xie Dong , Tian Ren-Gui , Zhang Xue-Ting , Tian Shi-Kai
Published: May 2022

An unprecedented use of benzylsulfonyl hydrazides as benzylating agents has been demonstrated in the direct C-3 benzylation of quinoxalin-2(1H)-ones.
Rationally designed Ru(ii)-metallacycle chemo-phototheranostic that emits beyond 1000 nm
Authors: Li Chonglu , Xu Yuling , Tu Le , Choi Minhyeok , Fan Yifan , Chen Xiaoqiang , Sessler Jonathan L. , Kim Jong Seung , Sun Yao
Published: May 2022

Along-wavelength emissive Ru(ii) metallacycle chemo-phototheranostic was preparedviaself-assembly that exhibits excellent photostability, deep-tissue penetration capability, and promising chemo-phototherapeutic performancein vitroandin vivo.
Characterization of uridine-cytidine kinase like-1 nucleoside kinase activity and its role in tumor growth
Authors: Matchett Emily C. , Ambrose Elise C. , Kornbluth Jacki
Published: May 2022

Uridine-cytidine kinase like-1 (UCKL-1) is a largely uncharacterized protein with high sequence similarity to other uridine-cytidine kinases (UCKs). UCKs play an important role in the pyrimidine salvage pathway, catalyzing the phosphorylation of uridine and cytidine to UMP and CMP, respectively. Only two human UCKs have been identified, UCK1 and UCK2. Previous studies have shown both enzymes phosphorylate uridine and cytidine using ATP as the phosphate donor. No studies have evaluated the kinase potential of UCKL-1. We cloned and purified UCKL-1 and found that it successfully phosphorylated uridine and cytidine using ATP as the phosphate donor. The catalytic efficiency (calculated as kcat/KM) was 1.2 × 104 s−1, M−1 for uridine and 0.7 × 104 s−1, M−1 for cytidine. Our lab has previously shown that UCKL-1 is up-regulated in tumor cells, providing protection against natural killer (NK) cell killing activity. We utilized small interfering RNA (siRNA) to down-regulate UCKL-1 in vitro and in vivo to determine the effect of UCKL-1 on tumor growth and metastasis. The down-regulation of UCKL-1 in YAC-1 lymphoma cells in vitro resulted in decreased cell counts and increased apoptotic activity. Down-regulation of UCKL-1 in K562 leukemia cells in vivo led to decreased primary tumor growth and less tumor cell dissemination and metastasis. These results identify UCKL-1 as a bona fide pyrimidine kinase with the therapeutic potential to be a target for tumor growth inhibition and for diminishing or preventing metastasis.
Commentary on: SMARCB1 as a novel diagnostic and prognostic biomarker for osteosarcoma
Authors: Sergi Consolato M.
Published: May 2022

In the last couple of decades, biomarkers have been on the rise for diagnostic and predictive value. There has been a rush to identify new markers using new technologies and drug repurposing approaches. SMARCB1 acronym arises from the SWI/SNF (SWItch/Sucrose Non-Fermentable)-related Matrix-associated Actin-dependent Regulator of Chromatin subfamily B member 1 (SMARCB1). It is a molecule, whose role is associated with the sucrose metabolism. SMARCB1 is also called INI1 (Integrase Interactor 1). The molecule was discovered in the mid-1990s. Its role as a loss-of-function marker for malignant rhabdoid tumors (MRT) of renal and extrarenal origin has enormously expanded the spectrum of involved neoplasms since that time. Several tumors have been characterized by genetic aberrations in the SMARCB1 gene. They include reduction in expression, loss of expression, and mosaic expression. Most of the tumors are sarcomas, but a variegated group of tumors with mixed phenotypes has also been delineated. It is well known that the outcome of patients harboring genetic aberrations in the SMARCB1 gene has been poor. Guo et al. reported that reduced SMARCB1 expression occurred in 70% of osteosarcomas. Their data significantly correlated with poor neoadjuvant response. These authors emphasize a shorter progression-free and overall survival of the patients demonstrating an altered expression of this gene. Interestingly, mRNA in silico analysis established that SMARCB1 expression correlates with the response to chemotherapy of osteosarcoma patients, but there was no reliable correlation between SMARCB1 expression level and metastasis, response to neoadjuvant therapy, overall survival, and progression-free survival. The study involved a tissue microarray (TMA) on bone tumors that may limit the full evaluation of the gene expression. Nevertheless, Guo et al.’s study is remarkable. It expands the list of the tumors harboring an altered SMARCB1 gene expression and suggests that this marker should be investigated in every pathology workup for potential predictive value. On the other side, much work needs to be done if we hope that we strive to provide additional therapeutic strategies for osteosarcoma patients with altered SMARCB1 gene expression.
Development of internal standard for lipoprotein subclass analysis using dual detection gel-permeation high-performance liquid chromatography system
Authors: Ogino Mei , Kameda Takahiro , Mutsuda Yume , Tanaka Hideko , Takahashi Junichiro , Okazaki Mitsuyo , Ai Masumi , Ohkawa Ryunosuke
Published: May 2022

The LipoSEARCH® System is an innovative lipoprotein class analysis method based on gel-permeation high-performance liquid chromatography (HPLC). This system uses a gel permeation column to separate the major lipoprotein subclasses (chylomicron, very low-density lipoprotein, low-density lipoprotein, and high-density lipoprotein) in serum according to particle size and splits them into two pathways to measure total cholesterol (TC; esterified + unesterified cholesterol) and triglyceride (TG) concentrations simultaneously to obtain chromatograms for each.

These chromatograms were analyzed based on the results of the calibration serum by fitting Gaussian curves to profile the 20 lipoprotein subclasses defined in detail. An important assumption of this HPLC system is its simultaneous detection of two pathways to guarantee the accuracy of each analysis. Therefore, in the present study, we investigated the development of an internal standard that can guarantee the simultaneous detection of this system by adding a pigment to the serum. We focused on quinone pigments with absorption at 550 nm, which is the wavelength used for the enzymatic assay of TC and TG concentrations in the system. As a result, we succeeded in producing overlapping pigment peaks that appeared after the analytical chromatograms in two pathways. It is also suggested that the pigment solution as an internal standard is stable in freezing storage and has little effect on the analysis. The developed internal standard is expected to contribute to the accuracy assurance of lipoprotein analysis by this dual-detection HPLC system.
RIS‐assisted secure UAV communications with resource allocation and cooperative jamming
Authors: Guo Jichang , Yu Lisu , Chen Zhiqiong , Yao Yuanzhi , Wang Zhen , Wang Zhenghai , Zhao Qingmin
Published: May 2022

Unmanned aerial vehicles (UAVs) are widely used in wireless communication networks due to their rapid deployment and high mobility. However, in practical scenarios, the existence of obstacles and eavesdroppers will seriously interfere with the communication quality of the UAV network and produce a security risk. Thus, this paper combines reconfigurable intelligent surface (RIS) technology with UAVs to build a secure UAV communication network. Normally, a rotary‐wing UAV (labeled as UAV‐S) acting as a base station sends information signals to a legitimate user on the ground with RIS equipment. However, there is a passive eavesdropper on the ground who can steal the information. Therefore, a friendly UAV jammer (labeled as UAV‐J) with a fixed location is introduced to send jamming signals to confuse the eavesdropper. The goal of this paper is to maximize the average secrecy rate of the communication network by jointly optimizing the flight trajectory, transmit power of the UAV‐S and UAV‐J, and phase shifter of the RIS. Since the constructed problem is highly nonconvex, an alternating optimization algorithm based on successive convex approximation techniques is proposed to solve the problem. Simulation results show that the proposed algorithm can achieve a higher secrecy rate in comparison with other schemes.
J-PLUS: Support vector regression to measure stellar parameters
Authors: Wang C. , Bai Y. , Yuan H. , Liu J. , Fernández-Ontiveros J. A. , Coelho P. R. T. , Jiménez-Esteban F. , Galarza C. A. , Angulo R. E. , Cenarro A. J. , Cristóbal-Hornillos D. , Dupke R. A. , Ederoclite A. , Hernández-Monteagudo C. , López-Sanjuan C. , Marín-Franch A. , Moles M. , Sodré L. , Ramió H. Vázquez , Varela J.
Published: May 2022

Context. Stellar parameters are among the most important characteristics in studies of stars which, in traditional methods, are based on atmosphere models. However, time, cost, and brightness limits restrain the efficiency of spectral observations. The Javalambre Photometric Local Universe Survey (J-PLUS) is an observational campaign that aims to obtain photometry in 12 bands. Owing to its characteristics, J-PLUS data have become a valuable resource for studies of stars. Machine learning provides powerful tools for efficiently analyzing large data sets, such as the one from J-PLUS, and enables us to expand the research domain to stellar parameters.

Aims. The main goal of this study is to construct a support vector regression (SVR) algorithm to estimate stellar parameters of the stars in the first data release of the J-PLUS observational campaign.

Methods. The training data for the parameters regressions are featured with 12-waveband photometry from J-PLUS and are crossidentified with spectrum-based catalogs. These catalogs are from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope, the Apache Point Observatory Galactic Evolution Experiment, and the Sloan Extension for Galactic Understanding and Exploration. We then label them with the stellar effective temperature, the surface gravity, and the metallicity. Ten percent of the sample is held out to apply a blind test. We develop a new method, a multi-model approach, in order to fully take into account the uncertainties of both the magnitudes and the stellar parameters. The method utilizes more than 200 models to apply the uncertainty analysis.

Results. We present a catalog of 2 493 424 stars with the root mean square error of 160 K in the effective temperature regression, 0.35 in the surface gravity regression, and 0.25 in the metallicity regression. We also discuss the advantages of this multi-model approach and compare it to other machine-learning methods.
Discovery of recurrent flares of 6.7 GHz methanol maser emission in Cepheus A HW2
Authors: Durjasz M. , Szymczak M. , Olech M. , Bartkiewicz A.
Published: May 2022

Context.Class II methanol masers at 6.7 GHz originate close to high-mass young stellar objects (HMYSOs). Their high sensitivity to local condition variations makes them a useful marker of the activity of the emerging massive stars.

Aims.We aim to closely examine the variability of the 6.7 GHz CH3OH masers in Cep A HW2 using the new and archival single-dish and high-resolution Very-Long-Baseline Interferometry (VLBI) datasets.

Methods.We monitored 6.7 GHz methanol masers towards the target between 2009 and 2021 using the Torun 32m radio telescope, and analysed nine datasets of VLBI observations taken over 16 yr.

Results.Faint, extremely redshifted maser emission located close to the presumed central star position and coincident with the radio jet shows flaring activity with a period of ~5 yr. Flares have an asymmetric profile with a rise-to-decay time ratio of 0.18 and relative amplitude higher than 10. The velocity of the flaring cloudlets drifts at a rate of 3–4 × 10−5km s−1d−1for about 11.5 yr of the monitoring. The time-lag between the peaks of the two flaring features implies a propagation speed of the exciting factor of ~1000 km s−1. Synchronised and anticorrelated variations of the flux density of blue- and redshifted features begin ~2.5 yr after flares of the extremely redshifted emission.

Conclusions.Our observations suggest that the recurrent flares are the response of low-gain unsaturated maser regions to a relatively low increase in luminosity, which has little effect on the behaviour of most maser regions of higher gain.
Mean curvature motion of point cloud varifolds
Authors: Buet Blanche , Rumpf Martin
Published: May 2022

This paper investigates a discretization scheme for mean curvature motion on point cloud varifolds with particular emphasis on singular evolutions. To define the varifold a local covariance analysis is applied to compute an approximate tangent plane for the points in the cloud. The core ingredient of the mean curvature motion model is the regularization of the first variation of the varifoldviaconvolution with kernels with small stencil. Consistency with the evolution velocity for a smooth surface is proven provided that a sufficiently small stencil and a regular sampling are considered. Furthermore, an implicit and a semi-implicit time discretization are derived. The implicit scheme comes with discrete barrier properties known for the smooth, continuous evolution, whereas the semi-implicit still ensures in all our numerical experiments very good approximation properties while being easy to implement. It is shown that the proposed method is robust with respect to noise and recovers the evolution of smooth curves as well as the formation of singularities such as triple points in 2D or minimal cones in 3D.
Geschlechtsdysphorie – Umgang mit Kindern, Jugendlichen und deren Familien
Authors: Lempp Thomas , Schöfer Laura , Daxer Florian
Published: May 2022

Kinder und Jugendliche, die sich nicht dem bei der Geburt zugewiesenen Geschlecht zugehörig fühlen, werden in den letzten Jahren vermehrt psychotherapeutisch und ärztlich vorgestellt. Da meist unklar ist, ob ein lebenslang persistierender Verlauf vorliegt, ist es wichtig, dass den betroffenen Familien mit einer adäquaten Haltung begegnet wird und sie dadurch die Möglichkeit professioneller Unterstützung erhalten.
Unter dem Ladentisch? Vom ressourcenorientierten Umgang mit Pornografie
Authors: Zannoni Ronja , Stirn Aglaja Valentina
Published: May 2022

Pornografie ist trotz Tabuisierung weit verbreitet, dennoch gibt es kaum verlässliche Informationen über ethische Standards der Pornoproduktion und wie fair porn gelingen kann. Der Beitrag stellt hierzu sowohl makro- als auch mikrostrukturelle Einflussfaktoren im ressourcenorientierten Umgang mit Pornografie vor.
Physiotherapie bei Frühchen
Authors: Bratka Lisa
Published: May 2022

Zum Aufgabenspektrum der Physiotherapie in der Neonatologie gehört das Fördern der kindlichen Entwicklung. Das gilt ganz besonders bei Frühchen. Ihre medizinische Versorgung, zu der auch Physiotherapie gehört, entwickelt sich ständig weiter. Dieser Artikel zeigt, wie wertvoll und umfassend die Interventionen der Physiotherapie sind, zu denen auch das Anleiten der Eltern gehört.
Erstellung einer deutschen Version des „Empty Nose Syndrome 6 Item Questionnaire“ (ENS6Q)
Authors: Lindemann Jörg , Goldberg-Bockhorn Eva , Stupp Franziska , Scheithauer Marc , Sieron Hannah Lara , Hoffmann Thomas K. , Sommer Fabian , Zimmermann Leonie
Published: May 2022

Hintergrund Der englischsprachige „Empty Nose 6-Item Questionnaire“ (ENS6Q) ist ein validierter Fragebogen und dient der Erfassung der subjektiven spezifischen Symptome von Patient*innen mit einem Empty-Nose-Syndrom (ENS). Bislang erfolgte die Validierung des Fragebogens in keiner weiteren Sprache. Das Ziel dieser Studie war es, eine validierte deutschsprachige Version des ENS6Q-Fragebogens zu erstellen.

Material und Methoden Der ENS6Q-Fragebogen wurde in einem mehrstufigen Prozess in die deutsche Sprache übersetzt. Die übersetzte Version wurde jeweils 2-mal von ENS-Patient*innen (n=36), von einer nasengesunden Gruppe (n=77) und von Patient*innen mit symptomatischer Septumpathologie (n=78) ausgefüllt. Zusätzlich wurde der NOSE©-Fragebogen ausgefüllt. Überprüft wurden die interne Konsistenz, Test-Retest-Reliabilität, Validität, Sensitivität sowie Spezifität.

Ergebnisse Der ENS6Q-GAV zeigte eine hohe interne Konsistenz mit einem Cronbachs α = 0,760 zum ersten und α = 0,795 zum zweiten Erhebungszeitpunkt. Es konnte eine ebenso gute Test-Retest-Reliabilität mit einem Intraklassen-Korrelationskoeffizient von 0,947 (0,930 – 0,961) gezeigt werden. Es bestand eine gute Diskriminationsvalidität zwischen der Fallgruppe und den nasengesunden Patient*innen. Die Receiver-Operating-Characteristics-Kurve zeigte bei einem Schwellenwert von 8,5 eine Sensitivität von 83,3% und eine Spezifität von 88,3%. Die Fläche unter der Kurve betrug 0,914 ± 0,029 (0,856 – 0,971).

Schlussfolgerungen Der ENS6Q-GAV-Fragebogen ist der erste in deutscher Sprache validierte krankheitsspezifische Fragebogen, um zuverlässig Patient*innen mit ENS-Symptomen zu identifizieren. Im Rahmen dieser Studie konnte eine zufriedenstellende Reliabilität, Validität, Sensitivität und Spezifität bestätigt werden.
Applied Clinical Informatics Journal: A Brief History
Authors: Lehmann Christoph U. , Ball Marion J. , Haux Reinhold , Lehmann Jenna S.
Published: May 2022

In 2009, Schattauer Verlag in Stuttgart, Germany first published the Applied Clinical Informatics (ACI) Journal. ACI has served since its inception as an official journal of the International Medical Informatics Association. Later, the American Medical Informatics Association and the European Federation for Medical Informatics named ACI as an official journal. This manuscript describes the history of the journal from its inception to present day including publication measures, challenges, and successes.
The onset of solidification: From interface formation to the Stefan regime
Authors: Belozerov Alexander A. , Shikhmurzaev Yulii D.
Published: May 2022

The onset of a solidification process is considered in a situation where the free surface of a warm liquid is touched by a sufficiently cold solid. The process is analyzed in terms of a model that takes into account the formation of a liquid–solid interface as the two media are brought in contact and then the appearance of the solidified liquid as a third bulk phase. As is shown, the temperature at the liquid–solid interface and then at the solidification front evolves in a non-monotone way, and when the solidification front appears and starts to move, its velocity is not a function of its temperature. The classical Stefan regime of solidification appears as a limit as the temperature at the solidification front evolves toward the melting temperature.
Investigation of the microsecond-pulse acoustic wave generated by a single nanosecond-pulse discharge
Authors: Li Handong , Li Yutai , Wang Xinxin , Zou Xiaobing , Wang Peng , Luo Haiyun
Published: May 2022

A single nanosecond-pulse discharge can produce a high-intensity pulsed acoustic wave. The pulse width of the acoustic wave is much wider than that of the current, more than 20 μs at 30 cm from the source, which is the basis of synthesizing low-frequency sound by repetitively nanosecond-pulse discharges. The investigations of electroacoustic characteristics and the sound formation process of the single nanosecond-pulse discharge are vital to advance this technology. In this paper, an experimental platform for the single nanosecond-pulse discharge was built, and time-domain waveforms of the voltage, the current, and the sound pressure were measured. The effects of electrode shape, current limiting resistors, and current pulse width on the acoustic wave were discussed. To analyze the formation process of the acoustic wave, the gas densities near the electrodes at different moments after the discharge were diagnosed by laser Schlieren photography. The result shows that the formation of the acoustic wave is much slower than the discharge. A two-stage model was developed to qualitatively describe the formation process of the acoustic wave, and numerical calculations were carried out using thermodynamic and hydrodynamic equations. At the end of the discharge, a huge pressure difference is formed inside and outside the gas channel due to the Joule heating, which can be considered as a shock wave. During the outward propagation, the wave tail is elongated by the difference in sound velocity at each point, and the thickness of the shock wave increases due to the dissipation. This eventually leads to the half-duration of more than 20 μs.