bluuebunny/crossref_metadata_2025 huggingface dataset:
Functional identification of microRNA-centered complexes in C. elegans
Authors: Hebbar Shilpa , Panzade Ganesh , Vashisht Ajay A. , Wohlschlegel James A. , Veksler-Lublinsky Isana , Zinovyeva Anna Y.
Published: May 2022

microRNAs (miRNAs) are crucial for normal development and physiology. To identify factors that might coordinate with miRNAs to regulate gene expression, we used 2′O-methylated oligonucleotides to precipitateCaenorhabditis eleganslet-7, miR-58, and miR-2 miRNAs and the associated proteins. A total of 211 proteins were identified through mass-spectrometry analysis of miRNA co-precipitates, which included previously identified interactors of key miRNA pathway components. Gene ontology analysis of the identified interactors revealed an enrichment for RNA binding proteins, suggesting that we captured proteins that may be involved in mRNA lifecycle. To determine which miRNA interactors are important for miRNA activity, we used RNAi to deplete putative miRNA co-factors in animals with compromised miRNA activity and looked for alterations of the miRNA mutant phenotypes. Depletion of 25 of 39 tested genes modified the miRNA mutant phenotypes in three sensitized backgrounds. Modulators of miRNA phenotypes ranged from RNA binding proteins RBD-1 and CEY-1 to metabolic factors such as DLST-1 and ECH-5, among others. The observed functional interactions suggest widespread coordination of these proteins with miRNAs to ultimately regulate gene expression. This study provides a foundation for future investigations aimed at deciphering the molecular mechanisms of miRNA-mediated gene regulation.
Association between circulating CD34-positive cell count and height loss among older men
Authors: Shimizu Yuji , Kawashiri Shin-Ya , Nobusue Kenichi , Nonaka Fumiaki , Tamai Mami , Honda Yukiko , Yamanashi Hirotomo , Nakamichi Seiko , Kiyama Masahiko , Hayashida Naomi , Nagata Yasuhiro , Maeda Takahiro
Published: May 2022

Height loss starting in middle age is reportedly significantly associated with death due to cardiovascular disease. Impaired blood flow is the main pathology in cardiovascular disease. Hematopoietic stem cells such as CD34-positive cells play an important role in maintaining the microcirculation and preventing impaired blood flow by activating endothelial repair and angiogenesis. Therefore, circulating CD34-positive cell count could be associated with height loss. To clarify the association between circulating CD34-positive cell count and height loss, we conducted a follow-up study of 363 Japanese men aged 60–69 years over 2 years. Height loss was defined as being in the highest quartile of height decrease per year. Independent of known cardiovascular risk factors, circulating CD34-positive cell count was significantly inversely associated with height loss. The fully adjusted odds ratio (OR) and 95% confidence interval (CI) of height loss for circulating CD34-positive cell count (logarithmic values) was 0.49 (0.32, 0.74). This study suggests that a lower capacity to maintain the microcirculation due to a fewer CD34-positive cells might affect height loss.
Influence of ionizing radiation and cell density on the kinetics of autocrine destruction and intercellular induction of apoptosis in precancerous cells
Authors: Abdelrazzak Abdelrazek B. , O’Neill Peter , Hill Mark A.
Published: May 2022

Intercellular induction of apoptosis (IIA) represents a well-defined signaling model by which precancerous cells are selectively eradicated through reactive oxygen/nitrogen species and cytokine signaling from neighbour normal cells. Previously, we demonstrated that the IIA process could be enhanced by exposure of normal cells to very low doses of ionizing radiation as a result of perturbing the intercellular signaling. In this study, we investigate the kinetic behaviour of both autocrine destruction (AD) and IIA as a function of cell density of both precancerous and normal cells using an insert co-culture system and how exposure of normal cells to ionizing radiation influence the kinetics of apoptosis induction in precancerous cells. Increasing the seeding density of transformed cells shifts the kinetics of AD towards earlier times with the response plateauing only at high seeding densities. Likewise, when co-culturing precancerous cells with normal cells, increasing the seeding density of either normal or precancerous cells also shifts the kinetics of IIA response towards earlier times and plateau only at higher seeding densities. Irradiation of normal cells prior to co-culture further enhances the kinetics of IIA response, with the degree of enhancement dependent on the relative cell densities. These results demonstrate the pivotal role of the cell seeding density of normal and precancerous cells in modulating both AD and IIA. These results further support the proposition that ionizing radiation could result in an enhancement in the rate of removal of precancerous cells through the IIA process.
Intelligent modeling and optimization of titanium surface etching for dental implant application
Authors: Sadati Tilebon Seyyed Mohamad , Emamian Seyed Amirhossein , Ramezanpour Hosseinali , Yousefi Hashem , Özcan Mutlu , Naghib Seyed Morteza , Zare Yasser , Rhee Kyong Yop
Published: May 2022

Acid-etching is one of the most popular processes for the surface treatment of dental implants. In this paper, acid-etching of commercially pure titanium (cpTi) in a 48% H2SO4 solution is investigated. The etching process time (0–8 h) and solution temperature (25–90 °C) are assumed to be the most effective operational conditions to affect the surface roughness parameters such as arithmetical mean deviation of the assessed profile on the surface (Ra) and average of maximum peak to valley height of the surface over considered length profile (Rz), as well as weight loss (WL) of the dental implants in etching process. For the first time, three multilayer perceptron artificial neural network (MLP-ANN) with two hidden layers was optimized to predict Ra, Rz, and WL. MLP is a feedforward class of ANN and ANN model that involves computations and mathematics which simulate the human–brain processes. The ANN models can properly predict Ra, Rz, and WL variations during etching as a function of process temperature and time. Moreover, WL can be increased to achieve a high Ra. At WL = 0, Ra of 0.5 μm is obtained, whereas Ra increases to 2 μm at WL = 0.78 μg/cm2. Also, ANN model was fed into a nonlinear sorting genetic algorithm (NSGA-II) to establish the optimization process and the ability of this method has been proven to predict the optimized etching conditions.
Biochemical and reproductive biomarker analysis to study the consequences of heavy metal burden on health profile of male brick kiln workers
Authors: David Mehwish , Jahan Sarwat , Hussain Javaid , Rehman Humaira , Cloete Karen J. , Afsar Tayyaba , Almajwal Ali , Alruwaili Nawaf W. , Razak Suhail
Published: May 2022

The present study aims to assess the effect of a heavy metal burden on general health, biochemical parameters, an antioxidant enzyme, and reproductive hormone parameters in adult male brick kiln workers from Pakistan. The study participants (n = 546) provided demographic data including general health as well as body mass index. Blood was collected to quantitatively assess hematological, biochemical, and reproductive hormone parameters as well as heavy metal concentrations using both atomic absorption spectroscopy (AAS) and particle-induced X-ray emission (PIXE). The data showed that 10% of the brick kiln workers were underweight and 10% obese (P = 0.059), with workers also reporting multiple health issues. Heavy metal concentrations utilizing AAS revealed significantly (p = 0.000) higher levels of cadmium, chromium, and nickel, while PIXE detected more than permissible levels of Si, P, S, Cl, K, Ca, Zn, Ti (p = 0.052), Mn (p = 0.017), Fe (p = 0.055), Co (p = 0.011), Ni (p = 0.045), and Cu (p = 0.003), in the blood of kiln workers. Moreover, a significant increase in platelet count (P = 0.010), a decrease in sodium dismutase levels (p = 0.006), a major increase in reactive oxygen species (p = 0.001), and a reduction in protein content (p = 0.013) were evident. A significant increase in cortisol levels (p = 0.000) among the workers group was also observed. The concentration of LH and FSH increased significantly (p = 0.000), while that of testosterone decreased (p = 0.000) in the worker group compared with controls. A significant inverse relationship was found between cortisol, LH (r =  − 0.380), and FSH (r =  − 0.946), while a positive correlation between cortisol and testosterone was also evident (r = 0.164). The study concludes that increased heavy metal burden in the blood of brick kiln workers exposes them to the development of general and reproductive health problems due to compromised antioxidant enzyme levels, increased oxidative stress conditions, and a disturbing reproductive axis.
Association of 5-item Brief Symptom Rating Scale scores and health status ratings with burnout among healthcare workers
Authors: Tsou Meng-Ting
Published: May 2022

This cross-sectional study evaluated and quantified the possible association of psychological symptoms and health status ratings on the burnout of healthcare workers from a tertiary medical center. Demographic data were obtained through a questionnaire survey. We evaluated their psychological symptoms using a 5-item Brief Symptom Rating Scale (BSRS-5) and burnout was measured using the Chinese version of the Maslach Burnout Inventory–Health Services Survey. The study began in Nov. 2018 and ended in Nov. 2020. A total of 2813 participants (men = 296, 10.5%; women = 2517, 89.5%) completed the questionnaires between December 2018 and March 2019. The response rate and complete rate were 71.7% and 93.2%. The multivariate analysis showed that, as the BSRS-5 level added, the odds ratio (OR) of burnout increased (BSRS-5 scores 6–9, 10–14, and 15–20; OR = 1.83, 3.23, and 9.15, separately;pvalue < 0.05). Overall, men (≥ 30 years of age) and women staffs with BSRS-5 scores ≥ 6; women with longer working hours (more than 46 h/week), men and women (≥ 30 years of age) working night shifts, and poor health status ratings were highly associated with burnout. The findings highlight the importance of screening for the BSRS-5 scores and health status ratings level for healthcare professionals at high risk of burnout, especially men ≥ 30 years of age and women with stressful working conditions.
Outdoor malaria vector species profile in dryland ecosystems of Kenya
Authors: Kinya Fiona , Mutero Clifford M. , Sang Rosemary , Owino Eunice A. , Rotich Gilbert , Ogola Edwin O. , Wondji Charles S. , Torto Baldwyn , Tchouassi David P.
Published: May 2022

Outdoor biting by anopheline mosquitoes is one of the contributors to residual malaria transmission, but the profile of vectors driving this phenomenon is not well understood. Here, we studied the bionomics and genetically characterized populations of An. gambiae and An. funestus complexes trapped outdoors in three selected dryland areas including Kerio Valley, Nguruman and Rabai in Kenya. We observed a higher abundance of Anopheles funestus group members (n = 639, 90.6%) compared to those of the An. gambiae complex (n = 66, 9.4%) with An. longipalpis C as the dominant vector species with a Plasmodium falciparum sporozoite rate (Pfsp) of 5.2% (19/362). The known malaria vectors including An. funestus s.s. (8.7%, 2/23), An. gambiae (14.3%, 2/14), An. rivulorum (14.1%, 9/64), An. arabiensis (1.9%, 1/52) occurred in low densities and displayed high Pfsp rates, which varied with the site. Additionally, six cryptic species found associated with the An. funestus group harbored Pf sporozoites (cumulative Pfsp rate = 7.2%, 13/181). We detected low frequency of resistant 119F-GSTe2 alleles in An. funestus s.s. (15.6%) and An. longipalpis C (3.1%) in Kerio Valley only. Evidence of outdoor activity, emergence of novel and divergent vectors and detection of mutations conferring metabolic resistance to pyrethroid/DDT could contribute to residual malaria transmission posing a threat to effective malaria control.
Nutrient quality and maturity status of frass fertilizer from nine edible insects
Authors: Beesigamukama Dennis , Subramanian Sevgan , Tanga Chrysantus M.
Published: May 2022

Globally, there is growing interest to recycle organic waste using insect larvae into high-quality frass fertilizer through circular economy approach. This paper presents the first comparative report on the nutrient concentrations, fertilizing indices, nutrient supply potentials and compost maturity of nine edible insect frass fertilizers. Our results revealed that frass fertilizers from all the insect species had adequate concentrations and contents of macronutrients [nitrogen (N), phosphorus (P), potassium (K)], secondary nutrients (calcium, magnesium, and sulphur) and micro-nutrients (manganese, copper, iron, zinc, boron, and sodium). The fertilizing indices of the frass fertilizers were above 3. However, black soldier fly (BSF) frass fertilizer had significantly higher N (20–130%) and K (17–193%) concentrations compared to others. The P concentration of Gryllus bimaculatus frass fertilizer was 3–800% higher compared to those of frass fertilizers from other insect species. The potential N and K supply capacities of BSF frass fertilizer was 19–78% and 16–190% higher, respectively. The P supply capacity of cricket frass fertilizer was 17–802% higher compared to others. The highest seed gemination rate (> 90%) and germination index (267%) were observed in seeds treated with BSF frass fertilizer. Frass fertilizer obtained from the other eight insect species showed medium to high phytotoxicity. These findings demonstrate that insect frass fertilizers are promising alternatives to existing commercial fertilizers (i.e., mineral, and organic) for improved soil health and crop yield.
Open label safety and efficacy pilot to study mitigation of equine recurrent uveitis through topical suppressor of cytokine signaling-1 mimetic peptide
Authors: Plummer Caryn E. , Polk Timothy , Sharma Jatin , Bae Sanghyo Sarah , Barr Olivia , Jones Amari , Kitchen Holly , Wilhelmy Michelle , Devin K. , Clay Smith W. , Kolaczkowski Bryan D. , Larkin Joseph
Published: May 2022

Equine recurrent uveitis (ERU) is a painful and debilitating autoimmune disease and represents the only spontaneous model of human recurrent uveitis (RU). Despite the efficacy of existing treatments, RU remains a leading cause of visual handicap in horses and humans. Cytokines, which utilize Janus kinase 2 (Jak2) for signaling, drive the inflammatory processes in ERU that promote blindness. Notably, suppressor of cytokine signaling 1 (SOCS1), which naturally limits the activation of Jak2 through binding interactions, is often deficient in autoimmune disease patients. Significantly, we previously showed that topical administration of a SOCS1 peptide mimic (SOCS1-KIR) mitigated induced rodent uveitis. In this pilot study, we test the potential to translate the therapeutic efficacy observed in experimental rodent uveitis to equine patient disease. Through bioinformatics and peptide binding assays we demonstrate putative binding of the SOCS1-KIR peptide to equine Jak2. We also show that topical, or intravitreal injection of SOCS1-KIR was well tolerated within the equine eye through physical and ophthalmic examinations. Finally, we show that topical SOCS1-KIR administration was associated with significant clinical ERU improvement. Together, these results provide a scientific rationale, and supporting experimental evidence for the therapeutic use of a SOCS1 mimetic peptide in RU.
Investigating how the accuracy of teacher expectations of pupil performance relate to socioeconomic and genetic factors
Authors: Barry Ciarrah-Jane Shannon , Davies Neil M. , Morris Tim T.
Published: May 2022

Teacher expectations of pupil ability can influence educational progression, impacting subsequent streaming and exam level. Systematic discrepancies between teacher expectations of pupil achievement may therefore have a detrimental effect on children’s education. Associations between socioeconomic and demographic factors with teacher expectation accuracy have been demonstrated, but it is not known how teacher expectations of achievement may relate to genetic factors. We investigated these relationships using nationally standardized exam results at ages 11 and 14 from a UK longitudinal cohort study. We found that teacher expectation of achievement was strongly correlated with educational test scores. Furthermore, the accuracy of teacher expectation was patterned by pupil socioeconomic background but not teacher characteristics. The accuracy of teacher expectation related to pupil’s genetic liability to education as captured by a polygenic score for educational attainment. Despite correlation with the polygenic score, we found no strong evidence for genomewide SNP heritability in teacher reporting accuracy.
Pseudotyped Bat Coronavirus RaTG13 is efficiently neutralised by convalescent sera from SARS-CoV-2 infected patients
Authors: Cantoni Diego , Mayora-Neto Martin , Thakur Nazia , Elrefaey Ahmed M. E. , Newman Joseph , Vishwanath Sneha , Nadesalingam Angalee , Chan Andrew , Smith Peter , Castillo-Olivares Javier , Baxendale Helen , Charleston Bryan , Heeney Jonathan , Bailey Dalan , Temperton Nigel
Published: May 2022

RaTG13 is a close relative of SARS-CoV-2, the virus responsible for the COVID-19 pandemic, sharing 96% sequence similarity at the genome-wide level. The spike receptor binding domain (RBD) of RaTG13 contains a number of amino acid substitutions when compared to SARS-CoV-2, likely impacting affinity for the ACE2 receptor. Antigenic differences between the viruses are less well understood, especially whether RaTG13 spike can be efficiently neutralised by antibodies generated from infection with, or vaccination against, SARS-CoV-2. Using RaTG13 and SARS-CoV-2 pseudotypes we compared neutralisation using convalescent sera from previously infected patients or vaccinated healthcare workers. Surprisingly, our results revealed that RaTG13 was more efficiently neutralised than SARS-CoV-2. In addition, neutralisation assays using spike mutants harbouring single and combinatorial amino acid substitutions within the RBD demonstrated that both spike proteins can tolerate multiple changes without dramatically reducing neutralisation. Moreover, introducing the 484 K mutation into RaTG13 resulted in increased neutralisation, in contrast to the same mutation in SARS-CoV-2 (E484K). This is despite E484K having a well-documented role in immune evasion in variants of concern (VOC) such as B.1.351 (Beta). These results indicate that the future spill-over of RaTG13 and/or related sarbecoviruses could be mitigated using current SARS-CoV-2-based vaccination strategies.
Enhancing ink adhesion of specialty paper using an interpenetrating polyvinyl alcohol-blocked polyurethane polymer network sizing system
Authors: Liu Yihe , Shen Yiding , Li Xiaorui , Dang Yuanyuan , Li Lintao , Yang Kai
Published: May 2022

The surface sizing system of specialty paper with an interpenetrating polyvinyl alcohol-blocked polyurethane polymer network was applied to fabricate paper of high ink adhesion and mechanical properties.
Challenges, progress and prospects in solid state triplet fusion upconversion
Authors: Alves Jessica , Feng Jiale , Nienhaus Lea , Schmidt Timothy W.
Published: May 2022

Photon upconversion (UC) stands for the conversion of low to high energy photons, a promising approach to improve solar cells. While high efficiencies can be obtained in liquid UC, will a solid UC device be able to reach such levels?
On metal coordination of neutral open-shell P-ligands focusing on phosphanoxyls, their electron residence and reactivity
Authors: Brehm Philipp C. , Frontera Antonio , Streubel Rainer
Published: May 2022

Important features of phosphanoxyl complex chemistry are presented, including generation and trapping reactions of such intermediates and their use in radical polymerisations; DFT calculations show tunable spin density distributions.
Flow technology enabled preparation of C3-heterosubstituted 1-azabicyclo[1.1.0]butanes and azetidines: accessing unexplored chemical space in strained heterocyclic chemistry
Authors: Musci Pantaleo , Colella Marco , Andresini Michael , Aramini Andrea , Degennaro Leonardo , Luisi Renzo
Published: May 2022

The use of flow technology as an enabling tool for accessing 1-azabicyclo[1.1.0]butanes bearing strained 3-, 4-, and 5-membered O-heterocycles with C3(N-het)–C2(O-het) connectivity is reported.
Heterogeneous parahydrogen induced polarization on Rh-containing silicalite-1 zeolites: effect of the catalyst structure on signal enhancement
Authors: Wang Weiyu , Sun Qiming , Wang Qiang , Li Shenhui , Xu Jun , Deng Feng
Published: May 2022

Parahydrogen-induced polarization (PHIP) on Rh-containing silicalite-1 catalysts is studied using both liquid-state and in situ magic angle spinning NMR techniques and the catalyst structure effect is revealed.
Anode-less seawater batteries with a Na-ion conducting solid-polymer electrolyte for power to metal and metal to power energy storage
Authors: Kim Yongil , Künzel Matthias , Steinle Dominik , Dong Xu , Kim Guk-Tae , Varzi Alberto , Passerini Stefano
Published: May 2022

Seawater batteries (SWBs) have been mostly researched for large scale energy storage and (sub-)marine applications. However, they can also provide desalinized water upon charge and enable CO2-trapping upon discharge.
Deep eutectic solvents meet safe, scalable and sustainable hydrogenations enabled by aluminum powder and Pd/C
Authors: Messa Francesco , Dilauro Giuseppe , Paparella Andrea Nicola , Silvestri Lavinia , Furlotti Guido , Iacoangeli Tommaso , Perrone Serena , Salomone Antonio
Published: May 2022

The in situ generation of H2 from aluminum powder and water/KOH enabled a general hydrogenation method in cholinium chloride/glycerol deep eutectic solvent under Pd/C catalysis.
Efficient artificial light-harvesting systems with gel properties formed by ion recognition
Authors: Ma Xinxian , Qiao Bo , Yue Jinlong , Geng Yutao , Lai Yingshan , Zhang Jiali , Feng Enke , Li Zhenliang , Han Xingning
Published: May 2022

A novel supramolecular gelator (G3) exhibited excellent selectivity toward Mg2+ as well as showed excellent gelation abilities. Meanwhile, an efficient artificial light-harvesting system has been constructed between G3@Mg-sol or G3@Mg-gel and RhB.
Insight into the dehydration of high-concentration fructose to 5-hydroxymethylfurfural in oxygen-containing polar aprotic solvents
Authors: Wei Zuojun , Yao En , Cheng Yuran , Hu Jinbo , Liu Yingxin
Published: May 2022

A high 5-HMF yield of 85.4% was achieved in polar aprotic oxygen-containing solvent with strong electrophilic maleic acid by quenching DHH.
Lauric acid adsorption on specific boron nitride fullerenes and the chemical influence of homonuclear bonds: a theoretical approach
Authors: Palomino-Asencio Luz , García-Hernández Erwin , Chigo-Anota Ernesto
Published: May 2022

The efficiency of boron nitride fullerenes as lauric acid transporters, seen from a density functional theory point of view.
Correction: A 2D/1D heterojunction nanocomposite built from polymeric carbon nitride and MIL-88A(Fe) derived α-Fe2O3 for enhanced photocatalytic degradation of rhodamine B
Authors: Viswanathan Vandana P. , Adarsh Nayarassery N. , Xavier Marilyn Mary , Mathew Suresh
Published: May 2022

Correction for ‘A 2D/1D heterojunction nanocomposite built from polymeric carbon nitride and MIL-88A(Fe) derived α-Fe2O3 for enhanced photocatalytic degradation of rhodamine B’ by Vandana P. Viswanathan et al., New J. Chem., 2022, DOI: https://doi.org/10.1039/d1nj05439b.
Diameter-dependent single- and double-file stacking of squaraine dye molecules inside chirality-sorted single-wall carbon nanotubes
Authors: Forel Salomé , Li Han , van Bezouw Stein , Campo Jochen , Wieland Laura , Wenseleers Wim , Flavel Benjamin S. , Cambré Sofie
Published: May 2022

Detailed fluorescence-excitation spectroscopy of chirality-sorted, dye-filled SWCNTs reveals a diameter-dependent efficient energy transfer from dyes to the SWCNTs, originating from different stacking configurations of the encapsulated dyes.
Dehydrative amination of benzhydrols with electron-withdrawing group-substituted 2-aminopyridines utilizing Au(iii)/TPPMS catalyst system in water
Authors: Hikawa Hidemasa , Nakayama Taku , Nakamura Shunki , Kikkawa Shoko , Azumaya Isao
Published: May 2022

We report a method for gold(iii)/TPPMS-catalyzed direct amination of benzhydols using 2-aminopyridines with poor nucleophilic character in water.
Chain-length dependence of the propagation rate coefficient for methyl acrylate polymerization at 25 °C investigated by the PLP-SEC method
Authors: Nikitin Anatoly N. , Dušička Eva , Lacík Igor , Hutchinson Robin A.
Published: May 2022

The marked chain-length dependence of the propagation rate coefficient of long-chain radicals has been determined for methyl acrylate bulk polymerization at 25 °C through the analysis of data obtained by the PLP-SEC method applying novel approaches.
Supramolecular polymeric prodrug micelles for efficient anticancer drug delivery
Authors: Wang Ying , Chen Peng , Luo Qiaojie , Li Xiaodong , Zhu Weipu
Published: May 2022

Supramolecular polymeric prodrug micelles with a precise drug molecular structure and drug loading content were facilely prepared through simultaneous self-assembly, a thiol–ene “click” reaction and a host–guest supramolecular interaction in water.
Construction of cucurbit[n]uril-based supramolecular frameworks via host–guest inclusion and functional properties thereof
Authors: Chen Kai , Hua Zi-Yi , Zhao Jiang-Lin , Redshaw Carl , Tao Zhu
Published: May 2022

In this review, some useful ideas and strategies are presented on how to construct guest@Q[n]-based supramolecular frameworks.
Platinum(ii)–gold(i) heterotrinuclear complexes with N,N′-diarylamine-functionalized acetylide ligands for red electroluminescence
Authors: Zeng Hao , Wang Jin-Yun , Shi Lin-Xi , Zhang Li-Yi , Chen Zhong-Ning
Published: May 2022

Triphosphine-supported PtAu2 complexes were elaborately designed using 4-substituted phenylacetylide ligands with electron-rich N,N′-diarylamine groups to manifest high-efficiency red electroluminescence.
Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models
Authors: Hancock Amy C. , Goerigk Lars
Published: May 2022

We assess recent TD-DFT methods on excimers and highlight shortcomings of current strategies to treat dispersion in excited states.
Selective hydroconversion of coconut oil-derived lauric acid to alcohol and aliphatic alkane over MoOx-modified Ru catalysts under mild conditions
Authors: Rodiansono  , Dewi Heny Puspita , Mustikasari Kamilia , Astuti Maria Dewi , Husain Sadang , Sutomo
Published: May 2022

Ru–(y)MoOx/TiO2 catalysed the hydroconversion of lauric acid to allow a remarkable yield of n-dodecane (up to 80%) under mild reaction conditions.
Highly selective cross-coupling reactions of 1,1-dibromoethylenes with alkynylaluminums for the synthesis of aryl substituted conjugated enediynes and unsymmetrical 1,3-diynes
Authors: Wu Kun , Wu Chuan , Jia Xiao-Ying , Zhou Lin , Li Qing-Han
Published: May 2022

A highly efficient method for the synthesis of aryl substituted conjugated enediynes and unsymmetrical 1,3-diynes via selective cross-coupling reactions of 1,1-dibromoethylenes with alkynylaluminums has been successfully developed.
Correction: A caged imidazopyrazinone for selective bioluminescence detection of labile extracellular copper(ii)
Authors: O’Sullivan Justin J. , Medici Valentina , Heffern Marie C.
Published: May 2022

Correction for ‘A caged imidazopyrazinone for selective bioluminescence detection of labile extracellular copper(ii)’ by Justin J. O’Sullivan et al., Chem. Sci., 2022, https://doi.org/10.1039/D1SC07177G.
Uniformity of spheroids-on-a-chip by surface treatment of PDMS microfluidic platforms
Authors: Azizipour Neda , Avazpour Rahi , Sawan Mohamad , Rosenzweig Derek H. , Ajji Abdellah
Published: May 2022

This work highlights the importance of surface modification on the quality and quantity of spheroid formation on microfluidic-based biochips.
Solute effects on the dynamics and deformation of emulsion droplets during freezing
Authors: Tyagi Sidhanth , Monteux Cécile , Deville Sylvain
Published: May 2022

Soft or rigid particles, suspended in a liquid, interact with an advancing solidification front in various industrial and natural processes, such as fabrication of particle-reinforced-composites, growth of crystals, cryopreservation, or frost heave.
Self-assembly of sequence-regulated amphiphilic copolymers with alternating rod and coil pendants
Authors: Feng Weisheng , Wang Liquan , Lin Shaoliang
Published: May 2022

We conducted a computational study on the self-assembly behavior of sequence-controlled amphiphilic copolymers with alternating rod and coil pendants. The results showed that various complex morphologies can be generated by introducing rod pendants.
Two for one: propylene carbonate co-solvent for high performance aqueous zinc-ion batteries – remedies for persistent issues at both electrodes
Authors: Kakoty Bhaskar , Vengarathody Rishikesh , Mukherji Srimayee , Ahuja Vinita , Joseph Anjana , Narayana Chandrabhas , Balasubramanian Sundaram , Senguttuvan Premkumar
Published: May 2022

We find that the addition of PC co-solvent suppresses parasitic reactions at both electrodes, and improves the cycling stability and coulombic efficiency of Zn-ion batteries.
Continuous non‐singular terminal sliding‐mode control of permanent magnet spherical actuator for trajectory tracking based on a modified nonlinear disturbance observer
Authors: Wen Yan , Liu Zhongyang , Wang Qunjing , Li Guoli
Published: May 2022

Multi‐degree‐of‐freedom permanent magnet spherical actuators (PMSAs) are highly nonlinear, coupled, and multivariable systems that are subject to different types of disturbances including unknown payloads, unmodelled dynamics, frictions, and other external disturbances, which adversely affect the trajectory tracking performance of a system. In this paper, a disturbance‐observer‐based continuous non‐singular terminal sliding‐mode control (NDOB‐CNTSMC) strategy is developed for a PMSA to enhance its trajectory tracking performance. Firstly, a nonlinear disturbance observer (NDOB) with a parameter design method is proposed to suppress uncertainty and reject disturbance in a PMSA trajectory tracking control system. Secondly, a continuous non‐singular terminal sliding‐mode controller (CNTSMC) is presented to compensate for the effect of the disturbance observation error and unobservable disturbances. The stability of the proposed control strategy is proved by the Lyapunov theorem. Both simulation and experimental results have shown that the control strategy proposed in this research can effectively address the issues of the inaccuracy of modelling and various disturbances and improve the trajectory tracking precision of the PMSA.
Field test‐based research on current sharing characteristics of multicolumn parallel arresters
Authors: Fan Youping , Zhang Peng , Wang Zijiang , Shang Ben , Zeng Zian , Yu Wenxiang , Wang Dianlang
Published: May 2022

A converter station is the hub of a High Voltage Direct Current (HVDC) transmission project, and the neutral bus arrester on its rectifier side has the most complex operation condition. The ideal operating condition of a multicolumn parallel arrester is the equipartition of energy generated when the system is impacted. When this condition is not achieved, individual arrester units with lower residual voltage absorb more energy than their tolerance level, which leads to breakdown failure of the arrester and forced outage of the DC system, resulting in significant economic losses. In this paper, the influence of the internal structure, assembly technology, and installation mode of a multicolumn parallel arrester on the operation status of an arrester is analysed, the quality control measures are summarized, and suggestions for site maintenance are given first. Then, the current sharing characteristics of large capacity multicolumn parallel arresters under different current waveforms, different current amplitudes and different temperatures are studied through experiments. The results show that the impact current waveform has little influence on the current non‐uniformity coefficient and generally does not exceed the standard value; under long duration current shock, the current deviation coefficient (CDC) may increase or decrease with increasing temperature. The above conclusions provide a practical basis and theoretical basis for the study of multicolumn parallel arrester operation condition monitoring methods, such as the selection of state characteristics and the formulation of monitoring criteria.
Low‐carbon operation of a multi‐energy system with hydrogen‐based vehicle applications
Authors: Mei Jie , Lee Christopher H.T. , Kirtley James L.
Published: May 2022

In order to cope with the challenges of improving energy efficiency, increasing the integration of renewable energy, and achieving carbon emission reduction, multi‐energy systems have received more and more attention in recent years and have been developing rapidly. Traditionally, different energy infrastructures are usually scheduled and operated independently, which leads to inefficient use of energy and waste of resources. By integrating into a multi‐energy system, different energy infrastructures can be coupled and optimized into one unit. In this article, from a low‐carbon point of view, the optimal scheduling of a real multi‐energy system with hydrogen‐based vehicle applications is proposed. The simulation results show that the proposed optimal scheduling can help quantify the daily operation cost and carbon emissions and achieve considerably operating cost saving and carbon reduction by reasonably arranging and utilizing all the devices in the system.
Scaling relations ofz∼ 0.25–1.5 galaxies in various environments from the morpho-kinematics analysis of the MAGIC sample
Authors: Mercier W. , Epinat B. , Contini T. , Abril-Melgarejo V. , Boogaard L. , Brinchmann J. , Finley H. , Krajnović D. , Michel-Dansac L. , Ventou E. , Bouché N. , Dumoulin J. , Pineda J. C. B.
Published: May 2022

Context.The evolution of galaxies is influenced by many physical processes, which may vary depending on their environment.

Aims.We combineHubbleSpace Telescope (HST) and Multi-Unit Spectroscopic Explorer (MUSE) data of galaxies at 0.25  ≲  z  ≲  1.5 to probe the impact of environment on the size-mass relation, the main sequence (MS) relation, and the Tully-Fisher relation (TFR).

Methods.We perform a morpho-kinematics modelling of 593 [O II] emitters in various environments in the COSMOS area from the MUSE-gAlaxy Groups In Cosmos survey. The HST F814W images are modelled with a bulge-disk decomposition to estimate their bulge-disk ratio, effective radius, and disk inclination. We use the [O II]λλ3727, 3729 doublet to extract the galaxies’ ionised gas kinematics maps from the MUSE cubes, and we model those maps for a sample of 146 [O II] emitters, including bulge and disk components constrained from morphology and a dark matter halo.

Results.We find an offset of 0.03 dex (1σsignificant) on the size-mass relation zero point between the field and the large structure sub-samples, with a richness threshold ofN = 10 to separate between small and large structures, and of 0.06 dex (2σ) withN = 20. Similarly, we find a 0.1 dex (2σ) difference on the MS relation withN = 10 and 0.15 dex (3σ) withN = 20. These results suggest that galaxies in massive structures are smaller by 14% and have star formation rates reduced by a factor of 1.3 − 1.5 with respect to field galaxies atz ≈ 0.7. Finally, we do not find any impact of the environment on the TFR, except when usingN = 20 with an offset of 0.04 dex (1σ). We discard the effect of quenching for the largest structures, which would lead to an offset in the opposite direction. We find that, atz ≈ 0.7, if quenching impacts the mass budget of galaxies in structures, these galaxies would have been affected quite recently and for roughly 0.7 − 1.5 Gyr. This result holds when including the gas mass but vanishes once we include the asymmetric drift correction.
Comprehensive analysis of southern eclipsing systems with pulsating components: The cases of HM Pup, V632 Sco, and TT Vel
Authors: Liakos A. , Moriarty D. J. W. , Blackford M. G. , West J. F. , Evans P. , Moriarty C. M. , Sweet S. M.
Published: May 2022

This work presents an extensive analysis of the properties of three southern semi-detached eclipsing binaries hosting a pulsating component, namely HM Pup, V632 Sco, and TT Vel. Systematic multi-filtered photometric observations were obtained using telescopes located in Australia and Chile mostly between 2018 and 2021. These observations were combined with data from the Transiting Exoplanet Survey Satellite (TESS) mission for a detailed analysis of pulsations. Spectral types and radial velocities were determined from spectra obtained with the Australian National University’s 2.3 m telescope and Wide Field Spectrograph. The data are modelled and the absolute parameters of all components are derived. The light curve residuals are further analysed using Fourier transformation techniques for the determination of the pulsation frequencies. Using theoretical models, the most probable modes of the principal oscillations are also identified. Eclipse-timing variation analysis is also carried out for all systems and the most likely mechanisms modulating the orbital period are proposed. The physical properties of these systems are compared with other similar cases and the locations of their components are plotted in the Mass-Radius (M−R) and Hertzsprung-Russell diagrams. Finally, the pulsational properties of the oscillating components are compared with currently known systems of this type within the orbital-pulsation period and log g-pulsation period diagrams. These systems are confirmed as oscillating eclipsing Algol-type systems (oEA stars), as the primary components are pulsating stars of δ Scuti type, with evidence of mass flow from the evolved secondary components present in their Na I D spectra.
Jedes Kind reift individuell – Sensomotorische Entwicklung
Authors: Sinai Alexandra
Published: May 2022

Die sensomotorische Entwicklung von Kindern verläuft sehr variabel. Allerdings: Bestimmte Grenzsteine muss ein Kind erreichen, sonst sollte unbedingt eine weitere Abklärung erfolgen. Voraussetzungen und Variabilitäten rund um die regelrechte motorische Entwicklung zeigt Alexandra Sinai. Und vor allem, wie wichtig Aufklärung und Zusammenarbeit mit den Eltern ist.
Optimale Schienenversorgung – Distale Fingerverletzungen
Authors: Knaus Waltraud
Published: May 2022

Bei offenen Traumata, Kontusionen und Frakturen des Fingerendglieds, bei einem Riss der Strecksehne in Zone I oder bei Verletzungen des Nagelbetts kommen Stack-Schienen und thermoplastische Schienen zum Einsatz. In der Therapie sind eine gute Aufklärung und genaue Instruktionen zum Handling wichtig, weil diese Schienen über viele Wochen hinweg getragen werden müssen.
Vorurteile abbauen – Psychische Gesundheit von LGBT bei Homophobie
Authors: Marin George-Dan
Published: May 2022

Menschen mit einer lesbischen, schwulen, bisexuellen oder transsexuellen Orientierung werden häufig diskriminiert. Wie wirkt sich diese Homophobie auf ihre psychische Gesundheit aus? Und wie können psychiatrisch tätige Fachpersonen die Betroffenen unterstützen und inkludieren?
Hands-On Time in Simulation-Based Ultrasound Training – A Dose-Related Response Study
Authors: Mahmood Oria , Jørgensen Rikke Jeong , Nielsen Kristina Rue , Konge Lars , Russell Lene
Published: May 2022

Purpose Point of care ultrasound (POCUS) is widely used, but the sensitivity and specificity of the findings are highly user-dependent. There are many different approaches to ultrasound training. The aim of this study was to explore the effects of hands-on practice when learning POCUS.

Methods Junior doctors with no or limited ultrasound experience were included in the study and divided into three groups. They all completed a Focused Assessment with Sonography for Trauma (FAST) course with different amounts of hands-on practice: 40 minutes (n=67), 60 minutes (n=12), and 90 minutes of hands-on time (n=27). By the end of the course, they all completed a previously validated test.

Results More hands-on time improved the mean test scores and decreased the test time. The scores of the 40-, 60-, and 90-minute groups were 11.6 (SD 2.1), 12.8 (SD 2.5), and 13.7 (SD 2.5), respectively (p<0.001). The 90-minute group completed the test significantly faster than the other two groups (20 versus 26 minutes, p=0.003). A large inter-individual variation was seen.

Conclusion The necessary amount of hands-on training is unknown. This study demonstrates that performance increases with prolonged hands-on time but the inter-individual variation among trainees is very large, thereby making it impossible to define the “optimal” time. This supports the use of the concept of mastery learning where each individual trainee can continue training until proficiency is reached.
Otoacoustic Emission Findings in Rett Syndrome
Authors: Nicholas Sarah , Kei Joseph , Woodyatt Gail , McPherson Bradley
Published: May 2022

Rett syndrome is a neurologic disorder affecting mainly females after a seemingly normal 6 to 18 months of life. The resulting developmental disabilities include apparent dementia and loss of acquired language, social skills, and purposeful hand use. The present investigation assessed 10 individuals with Rett syndrome and a control group matched for age and sex. The present study aimed to determine the clinical feasibility of obtaining otoacoustic emissions (OAEs) from the Rett syndrome group and to compare the characteristics of the transient evoked and distortion-product OAEs obtained from the two subject groups. Results indicated that OAE evaluation is a clinically feasible method of assessing individuals with Rett syndrome. The Rett syndrome group had less robust OAEs, especially in the higher frequencies, when compared to the control group. Seven of the Rett syndrome group were identified as having reduced or absent OAEs in at least one ear. These findings suggest a need for hearing screening at an early age and monitoring of hearing on a regular basis.

Abbreviations: ABR = auditory brainstem response, DPOAEs = distortion-product otoacoustic emissions, LVR = late vertex response, MLR = middle latency response, OAE = otoacoustic emission, SNR = signal-to-noise ratio, TEOAEs = transient evoked otoacoustic emissions, VRA = visual reinforcement audiometry, WWR = whole-wave reproducibility
Investment guarantees in financial products: an analysis of consumer preferences
Authors: Luca Daliana , Schmeiser Hato , Schreiber Florian
Published: May 2022

We analyze the preferences of 1180 German consumers for investment guarantees in financial products by means of choice-based conjoint and latent class analysis. Based on the segment-level partworth utility profiles, we then identify the most important investment guarantee features, analyze consumer demand in a realistic market setting, and test whether individual purchasing behavior can be explained by socioeconomic characteristics. Our results show that two buyer and two nonbuyer segments exist. Although their willingness to buy varies significantly, we document only a small degree of heterogeneity with respect to the individual guarantee attributes and levels. Across the sample, the guarantee period is most important, followed by the volatility of the underlying fund, and the up-front premium. Finally, we illustrate that particularly those socioeconomic characteristics with an impact on individuals’ financial situation are promising predictors of their willingness to purchase investment guarantees.
A person-centred problem
Authors: Chapman Michael , Philip Jennifer , Komesaroff Paul
Published: May 2022

It has become commonly expected that the “personhood” of people with dementia should be recognised, understood in the relational sense that is now widely adopted in healthcare practices. Despite its broad acceptance, however, the concept of personhood remains problematic in dementia care, as a result both of the theoretical challenges it poses and the practices that arise from it. This work employs the technique of ethnographic observation of residents, family members, and care staff of an aged care facility to explore the ways in which various modalities of the “self” are displayed in persons with dementia. The results provide insights into the moral and ontological impact of personhood on the systems that structure and influence interactions involving people with dementia. We conclude that privileging a preserved identity in dementia, and delivering care that conforms to contemporary “person-centred” expectations may limit recognition of the fluid, ongoing selfhood of people with dementia and that a reconsideration of this focus may enable us to expand our understanding of, and our responses to, their changing experiences.
EOM-CCSD-based neural network diabatic potential energy matrix for 1πσ*-mediated photodissociation of thiophenol
Authors: Hou Siting , Li Chaofan , Han Huixian , Xie Changjian
Published: May 2022

A new diabatic potential energy matrix (PEM) of the coupled 1ππ* and 1πσ* states for the 1πσ*-mediated photodissociation of thiophenol was constructed using a neural network (NN) approach. The diabatization of the PEM was specifically achieved by our recent method [Chin. J. Chem. Phys. 34, 825 (2021)], which was based on adiabatic energies without the associated costly derivative couplings. The equation of motion coupled cluster with single and double excitations (EOM-CCSD) method was employed to compute adiabatic energies of two excited states in this work due to its high accuracy, simplicity, and efficiency. The PEM includes three dimensionalities, namely the S−H stretch, C−S−H bend, and C−C−S−H torsional coordinates. The root mean square errors of the NN fitting for the S1 and S2 states are 0.89 and 1.33 meV, respectively, suggesting the high accuracy of the NN method as expected. The calculated lifetimes of the S1 vibronic 00 and 31 states are found to be in reasonably good agreement with available theoretical and experimental results, which validates the new EOM-CCSD-based PEM fitted by the NN approach. The combination of the diabatization scheme solely based on the adiabatic energies and the use of EOM-CCSD method makes the construction of reliable diabatic PEM quite simple and efficient.
Horizontal dam-break flow past a blocking-drag region
Authors: Eames I. , Robinson T.
Published: May 2022

A one-dimensional model framework of unsteady free-surface flow through a blocking-drag region is developed, tested, and applied to understand the dam-break flow past a rectangular building. This is achieved by studying the steady-state, adjustment to steady-state, and the unsteady response of a blocking-drag region. Three steady flow regimes are identified based on the Froude number upstream and downstream of a blocking-drag region: a subcritical state, a choked state with a subcritical-supercritical transition, and a supercritical state. The interaction between a dam-break flow and a blocking-drag region can be mostly understood from the quasi-steady analysis using the variation of the Froude number with time, and comparing the upstream and downstream Froude number scatter plots against the steady curve. The force time-series depends on the height of the precursor layer and the position of the blocking-drag region relative to the lock-length. This model provides considerable insight into the types of flow characteristics observed at low/high Froude numbers and goes some way to clarifying the relationship between the drag force and the dam-break flow properties.