bluuebunny/crossref_metadata_2025 huggingface dataset:
The contributions of mitochondrial and nuclear mitochondrial genetic variation to neuroticism
Authors: Xia Charley , Pickett Sarah J. , Liewald David C. M. , Weiss Alexander , Hudson Gavin , Hill W. David
Published: May 2023

Neuroticism is a heritable trait composed of separate facets, each conferring different levels of protection or risk, to health. By examining mitochondrial DNA in 269,506 individuals, we show mitochondrial haplogroups explain 0.07-0.01% of variance in neuroticism and identify five haplogroup and 15 mitochondria-marker associations across a general factor of neuroticism, and two special factors of anxiety/tension, and worry/vulnerability with effect sizes of the same magnitude as autosomal variants. Within-haplogroup genome-wide association studies identified H-haplogroup-specific autosomal effects explaining 1.4% variance of worry/vulnerability. These H-haplogroup-specific autosomal effects show a pleiotropic relationship with cognitive, physical and mental health that differs from that found when assessing autosomal effects across haplogroups. We identify interactions between chromosome 9 regions and mitochondrial haplogroups at P < 5 × 10−8, revealing associations between general neuroticism and anxiety/tension with brain-specific gene co-expression networks. These results indicate that the mitochondrial genome contributes toward neuroticism and the autosomal links between neuroticism and health.
A cryo-EM structure of KTF1-bound polymerase V transcription elongation complex
Authors: Zhang Hong-Wei , Huang Kun , Gu Zhan-Xi , Wu Xiao-Xian , Wang Jia-Wei , Zhang Yu
Published: May 2023

De novo DNA methylation in plants relies on transcription of RNA polymerase V (Pol V) along with KTF1, which produce long non-coding RNAs for recruitment and assembly of the DNA methylation machinery. Here, we report a cryo-EM structure of the Pol V transcription elongation complex bound to KTF1. The structure reveals the conformation of the structural motifs in the active site of Pol V that accounts for its inferior RNA-extension ability. The structure also reveals structural features of Pol V that prevent it from interacting with the transcription factors of Pol II and Pol IV. The KOW5 domain of KTF1 binds near the RNA exit channel of Pol V providing a scaffold for the proposed recruitment of Argonaute proteins to initiate the assembly of the DNA methylation machinery. The structure provides insight into the Pol V transcription elongation process and the role of KTF1 during Pol V transcription-coupled DNA methylation.
Afferent convergence to a shared population of interneuron AMPA receptors
Authors: Pennock Reagan L. , Coddington Luke T. , Yan Xiaohui , Overstreet-Wadiche Linda , Wadiche Jacques I.
Published: May 2023

Precise alignment of pre- and postsynaptic elements optimizes the activation of glutamate receptors at excitatory synapses. Nonetheless, glutamate that diffuses out of the synaptic cleft can have actions at distant receptors, a mode of transmission called spillover. To uncover the extrasynaptic actions of glutamate, we localized AMPA receptors (AMPARs) mediating spillover transmission between climbing fibers and molecular layer interneurons in the cerebellar cortex. We found that climbing fiber spillover generates calcium transients mediated by Ca2+-permeable AMPARs at parallel fiber synapses. Spillover occludes parallel fiber synaptic currents, indicating that separate, independently regulated afferent pathways converge onto a common pool of AMPARs. Together these findings demonstrate a circuit motif wherein glutamate ‘spill-in’ from an unconnected afferent pathway co-opts synaptic receptors, allowing activation of postsynaptic AMPARs even when canonical glutamate release is suppressed.
Soil organic carbon is a key determinant of CH4 sink in global forest soils
Authors: Lee Jaehyun , Oh Youmi , Lee Sang Tae , Seo Yeon Ok , Yun Jeongeun , Yang Yerang , Kim Jinhyun , Zhuang Qianlai , Kang Hojeong
Published: May 2023

Soil organic carbon (SOC) is a primary regulator of the forest–climate feedback. However, its indicative capability for the soil CH4 sink is poorly understood due to the incomplete knowledge of the underlying mechanisms. Therefore, SOC is not explicitly included in the current model estimation of the global forest CH4 sink. Here, using in-situ observations, global meta-analysis, and process-based modeling, we provide evidence that SOC constitutes an important variable that governs the forest CH4 sink. We find that a CH4 sink is enhanced with increasing SOC content on regional and global scales. The revised model with SOC function better reproduces the field observation and estimates a 39% larger global forest CH4 sink (24.27 Tg CH4 yr−1) than the model without considering SOC effects (17.46 Tg CH4 yr−1). This study highlights the role of SOC in the forest CH4 sink, which shall be factored into future global CH4 budget quantification.
Enabling rapid X-ray CT characterisation for additive manufacturing using CAD models and deep learning-based reconstruction
Authors: Ziabari Amirkoushyar , Venkatakrishnan S. V. , Snow Zackary , Lisovich Aleksander , Sprayberry Michael , Brackman Paul , Frederick Curtis , Bhattad Pradeep , Graham Sarah , Bingham Philip , Dehoff Ryan , Plotkowski Alex , Paquit Vincent
Published: May 2023

Metal additive manufacturing (AM) offers flexibility and cost-effectiveness for printing complex parts but is limited to few alloys. Qualifying new alloys requires process parameter optimisation to produce consistent, high-quality components. High-resolution X-ray computed tomography (XCT) has not been effective for this task due to artifacts, slow scan speed, and costs. We propose a deep learning-based approach for rapid XCT acquisition and reconstruction of metal AM parts, leveraging computer-aided design models and physics-based simulations of nonlinear interactions between X-ray radiation and metals. This significantly reduces beam hardening and common XCT artifacts. We demonstrate high-throughput characterisation of over a hundred AlCe alloy components, quantifying improvements in characterisation time and quality compared to high-resolution microscopy and pycnometry. Our approach facilitates investigating the impact of process parameters and their geometry dependence in metal AM.
Polymer graph neural networks for multitask property learning
Authors: Queen Owen , McCarver Gavin A. , Thatigotla Saitheeraj , Abolins Brendan P. , Brown Cameron L. , Maroulas Vasileios , Vogiatzis Konstantinos D.
Published: May 2023

The prediction of a variety of polymer properties from their monomer composition has been a challenge for material informatics, and their development can lead to a more effective exploration of the material space. In this work, PolymerGNN, a multitask machine learning architecture that relies on polymeric features and graph neural networks has been developed towards this goal. PolymerGNN provides accurate estimates for polymer properties based on a database of complex and heterogeneous polyesters (linear/branched, homopolymers/copolymers) with experimentally refined properties. In PolymerGNN, each polyester is represented as a set of monomer units, which are introduced as molecular graphs. A virtual screening of a large, computationally generated database with materials of variable composition was performed, a task that demonstrates the applicability of the PolymerGNN on future studies that target the exploration of the polymer space. Finally, a discussion on the explainability of the models is provided.
Inverse orbital Hall effect and orbitronic terahertz emission observed in the materials with weak spin-orbit coupling
Authors: Wang Ping , Feng Zheng , Yang Yuhe , Zhang Delin , Liu Quancheng , Xu Zedong , Jia Zhiyan , Wu Yong , Yu Guoqiang , Xu Xiaoguang , Jiang Yong
Published: May 2023

The Orbital Hall effect, which originates from materials with weak spin-orbit coupling, has attracted considerable interest for spin-orbitronic applications. Here, we demonstrate the inverse effect of the orbital Hall effect and observe orbitronic terahertz emission in the Ti and Mn materials. Through spin-orbit transition in the ferromagnetic layer, the generated orbital current can be converted to charge current in the Ti and Mn layers via the inverse orbital Hall effect. Furthermore, the inserted W layer provides an additional conversion of the orbital-charge current in the Ti and Mn layers, significantly enhancing the orbitronic terahertz emission. Moreover, the orbitronic terahertz emission can be manipulated by cooperating with the inverse orbital Hall effect and the inverse spin Hall effect in the different sample configurations. Our results not only discover the physical mechanism of condensed matter physics but also pave the way for designing promising spin-orbitronic devices and terahertz emitters.
Characterization of lab-based swarms of Anopheles gambiae mosquitoes using 3D-video tracking
Authors: Cavagna Andrea , Giardina Irene , Gucciardino Michela Anna , Iacomelli Gloria , Lombardi Max , Melillo Stefania , Monacchia Giulia , Parisi Leonardo , Peirce Matthew J. , Spaccapelo Roberta
Published: May 2023

Mosquito copulation is a crucial determinant of its capacity to transmit malaria-causing Plasmodium parasites as well as underpinning several highly-anticipated vector control methodologies such as gene drive and sterile insect technique. For the anopheline mosquitoes responsible for African malaria transmission, mating takes place within crepuscular male swarms which females enter solely to mate. However, the mechanisms that regulate swarm structure or that govern mate choice remain opaque. We used 3D-video tracking approaches and computer vision algorithms developed for the study of other complex biological systems to document swarming behavior of a lab-adapted Anopheles gambiae line in a lab-based setting. By reconstructing trajectories of individual mosquitoes lasting up to 15.88 s, in swarms containing upwards of 200 participants, we documented swarm-like behavior in both males and females. In single sex swarms, encounters between individuals were fleeting (< 0.75 s). By contrast, in mixed swarms, we were able to detect 79 ‘brief encounters’ (> 0.75 s; < 2.5 s) and 17 longer-lived encounters (> 2.5 s). We also documented several examples of apparent male-male mating competition. These findings represent the first steps towards a more detailed and quantitative description of swarming and courtship behavior in one of the most important vectors of malaria.
Cosmic coding and transfer storage (COSMOCATS) for invincible key storage
Authors: Tanaka Hiroyuki K. M.
Published: May 2023

Thus far, a perfectly secure encryption key storage system doesn’t exist. As long as key storage is connected to a network system, there is always a chance that it can be cracked. Even if storage is not continually connected to a network system; it is repeatedly necessary for an individual to access storage to upload and download the data; hence there is always a loophole with every conventional encryption key storage system. By utilizing the penetrative nature of cosmic-ray muons, the COSMOCAT (Cosmic coding and transfer) technique may tackle this problem by eliminating the requirement for any network connection to data storage. COSMOCAT was invented as a post quantum key generation and distribution technique for wireless near field communication. However, in its first stage of development, COSMOCAT relied on standard comparators and Global Positioning System (GPS) or other Global Navigation Satellite Systems (GNSS) for key generation. Temporal jitters of the signals outputted from comparators and frequency fluctuations in GPS-disciplined oscillators degraded the key strength and the efficiency of both the key generation and distribution. New strategies are tested in this paper to improve these factors. As a result, the key strength and the key authenticating rate limit are respectively improved by 4 orders of magnitude and more than 5 orders of magnitude. As a consequence, it has become possible to propose a practical methodology for a new key storage and authentication strategy which has the potential to be an impregnable defense against any kind of cyber/physical attack to data storage. Practical applications of COSMOCATS-based symmetric-key cryptosystems to an electronic digital signing system, communication, and cloud storage are also discussed.
Forecasting COVID-19 activity in Australia to support pandemic response: May to October 2020
Authors: Moss Robert , Price David J. , Golding Nick , Dawson Peter , McVernon Jodie , Hyndman Rob J. , Shearer Freya M. , McCaw James M.
Published: May 2023

As of January 2021, Australia had effectively controlled local transmission of COVID-19 despite a steady influx of imported cases and several local, but contained, outbreaks in 2020. Throughout 2020, state and territory public health responses were informed by weekly situational reports that included an ensemble forecast of daily COVID-19 cases for each jurisdiction. We present here an analysis of one forecasting model included in this ensemble across the variety of scenarios experienced by each jurisdiction from May to October 2020. We examine how successfully the forecasts characterised future case incidence, subject to variations in data timeliness and completeness, showcase how we adapted these forecasts to support decisions of public health priority in rapidly-evolving situations, evaluate the impact of key model features on forecast skill, and demonstrate how to assess forecast skill in real-time before the ground truth is known. Conditioning the model on the most recent, but incomplete, data improved the forecast skill, emphasising the importance of developing strong quantitative models of surveillance system characteristics, such as ascertainment delay distributions. Forecast skill was highest when there were at least 10 reported cases per day, the circumstances in which authorities were most in need of forecasts to aid in planning and response.
Impact of repeated morning bright white light exposures on attention in a simulated office environment
Authors: Canazei Markus , Dick Maximilian , Pohl Wilfried , Weninger Johannes , Hubel Niclas , Staggl Siegmund , Weiss Elisabeth M.
Published: May 2023

Attention is essential to the work. This study investigated the effects of two different light pulses on a simple attention task. In addition, the effects of subsequent exposure to constant but different illuminance levels on the continuation of the simple attention task and a subsequent complex attention task were examined. A total of 56 subjects were assigned in random order to two white light interventions that were repeated five times during the morning. Each light intervention consisted of a brief light pulse followed by constant light exposure and differed in temporal dimming dynamics and corneal illuminance. Subjective and psychometric parameters were recorded several times during light exposure. Heart rate variability (HRV) was derived from continuous electrocardiograms. Subjects showed improved reaction speed in the simple attention task, accompanied by higher HRV under a brighter light pulse without habituation by repetition. This difference in simple attention performance disappeared when light exposure remained the same after the light pulse. In addition, higher reaction speed and HRV were observed in the complex attention task under constant bright light exposure. Intermittent bright light seems promising to acutely improve attentional performance in office workplaces. Future research is needed to investigate daytime light effects on other work-related cognitive functions.
Surface protein profiling of milk and serum extracellular vesicles unveils body fluid-specific signatures
Authors: Giovanazzi Alberta , van Herwijnen Martijn J. C. , Kleinjan Marije , van der Meulen Gerbrich N. , Wauben Marca H. M.
Published: May 2023

Cell-derived extracellular vesicles (EVs) are currently in the limelight as potential disease biomarkers. The promise of EV-based liquid biopsy resides in the identification of specific disease-associated EV signatures. Knowing the reference EV profile of a body fluid can facilitate the identification of such disease-associated EV-biomarkers. With this aim, we purified EVs from paired human milk and serum samples and used the MACSPlex bead-based flow-cytometry assay to capture EVs on bead-bound antibodies specific for a certain surface protein, followed by EV detection by the tetraspanins CD9, CD63, and CD81. Using this approach we identified body fluid-specific EV signatures, e.g. breast epithelial cell signatures in milk EVs and platelet signatures in serum EVs, as well as body fluid-specific markers associated to immune cells and stem cells. Interestingly, comparison of pan-tetraspanin detection (simultaneous CD9, CD63 and CD81 detection) and single tetraspanin detection (detection by CD9, CD63 or CD81) also unveiled body fluid-specific tetraspanin distributions on EVs. Moreover, certain EV surface proteins were associated with a specific tetraspanin distribution, which could be indicative of the biogenesis route of this EV subset. Altogether, the identified body fluid-specific EV profiles can contribute to study EV profile deviations in these fluids during disease processes.
Effects of snow cover on urban light climate environment in the high latitudes of northeast China
Authors: Zhang Fan , Wang Nan , Zhang Lijuan , Chu Yue , Wang Shiwen , Huang Yutao
Published: May 2023

Light climate environment (LCE) has a significant impact on human health, behavioral characteristics, and the safety of life and property due to the high albedo of snow on the ground cover type, which in turn affects the regional climate and socio-economic development, but less relevant studies have been found. In this study, the effect of snow on daytime and nighttime light levels was quantified using comparative field observations and controlled experiments in artificial climate chambers, combined with analysis of variance and model fitting. The results of the study found that there was a significant difference between the presence and absence of snow on both daytime and nighttime light levels. During daytime, the ambient light level on the ground with snow is 5.68 times higher than without snow, an improvement of 12,711.06 Lux. At night, with moonlight, the nighttime illuminance with and without snow is 0.213 Lux and 0.01 Lux, respectively. When there is no moonlight, the snow has no significant effect on the light level. In addition, significant differences in LCE intensity with different snow depths, snow densities and black carbon (BC) pollution. At the same background light intensity, the LCE intensity varies significantly with increasing snow depth, snow density and BC pollution. The results reveals the quantitative impact of snow on LCE, providing scientific support for regional natural light energy use, human health and safety, urban environmental management and economic development.
Deep learning model accurately classifies metastatic tumors from primary tumors based on mutational signatures
Authors: Zheng Weisheng , Pu Mengchen , Li Xiaorong , Du Zhaolan , Jin Sutong , Li Xingshuai , Zhou Jielong , Zhang Yingsheng
Published: May 2023

Metastatic propagation is the leading cause of death for most cancers. Prediction and elucidation of metastatic process is crucial for the treatment of cancer. Even though somatic mutations have been linked to tumorigenesis and metastasis, it is less explored whether metastatic events can be identified through genomic mutational signatures, which are concise descriptions of the mutational processes. Here, we developed MetaWise, a Deep Neural Network (DNN) model, by applying mutational signatures as input features calculated from Whole-Exome Sequencing (WES) data of TCGA and other metastatic cohorts. This model can accurately classify metastatic tumors from primary tumors and outperform traditional machine learning (ML) models and a deep learning (DL) model, DiaDeL. Signatures of non-coding mutations also have a major impact on the model’s performance. SHapley Additive exPlanations (SHAP) and Local Surrogate (LIME) analyses identify several mutational signatures which are directly correlated to metastatic spread in cancers, including APOBEC-mutagenesis, UV-induced signatures, and DNA damage response deficiency signatures.
Comparative genomic analysis uncovers candidate genes related with milk production and adaptive traits in goat breeds
Authors: Amiri Ghanatsaman Zeinab , Ayatolahi Mehrgardi Ahmad , Asadollahpour Nanaei Hojjat , Esmailizadeh Ali
Published: May 2023

During the process of animal domestication, both natural and artificial selection cause variation in allele frequencies among populations. Identifying genomic areas of selection in domestic animals may aid in the detection of genomic areas linked to ecological and economic traits. We studied genomic variation in 140 worldwide goat individuals, including 75 Asian, 30 African and 35 European goats. We further carried out comparative population genomics to detect genomic regions under selection for adaptability to harsh conditions in local Asian ecotypes and also milk production traits in European commercial breeds. In addition, we estimated the genetic distances among 140 goat individuals. The results showed that among all studied goat groups, local breeds from West and South Asia emerged as an independent group. Our search for selection signatures in local goats from West and South Asia revealed candidate genes related to adaptation to hot climate (HSPB6, HSF4, VPS13A and NBEA genes) and immune response (IL7, IL5, IL23A and LRFN5) traits. Furthermore, selection signatures in European commercial goats involved several milk production related genes, such as VPS13C, NCAM2, TMPRSS15, CSN3 and ABCG2. The identified candidate genes could be the fundamental genetic resource for enhancement of goat production and environmental-adaptive traits, and as such they should be used in goat breeding programs to select more efficient breeds.
Heat and mass transfer analysis for magnetized flow of $${\mathrm{ZnO}-SAE50}$$ nanolubricant with variable properties: an application of Cattaneo–Christov model
Authors: Riaz Muhammad , Khan Nargis , Hashmi M. S. , Younis Jihad
Published: May 2023

The current study scrutinizes heat and mass transfer features of magnetized flow of$${\mathrm{ZnO}-SAE50}$$ZnO-SAE50nanolubricant over Riga plate in a Darcy Forchheimer medium. The effects of variable viscosity, thermal radiation, variable thermal conductivity, viscous dissipation and uniform heat source/sink are examined in this study. The diffusion model presented by Cattaneo–Christov is incorporated in this study to enclose heat and mass transport phenomenon. Additionally, the mass transfer rate is inspected subjected to the effects of variable solutal diffusivity and higher order chemical reaction. Heat and mass transfer phenomena have significant applications in the disciplines of science and technology that can be seen everywhere in nature. This simultaneous transportation phenomenon indicates a variety of applications in manufacturing processes, aerodynamics, cooling systems, environmental sciences, oceanography, food industries, biological disciplines, and energy transport systems etc. The modeled system of PDEs is metamorphosed to nonlinear ODEs with the introduction of appropriate transformations. An eminent bvp4c method in MATLAB has been incorporated to execute the resulting system of ODEs numerically. The outcomes of velocity, temperature and concentration profiles corresponding to various emerging parameters have been exposed graphically. The motion of$${\mathrm{ZnO}-SAE50}$$ZnO-SAE50nanolubricant tends to enhance significantly with larger modified Hartmann number, whereas converse behavior is reported by increasing porosity parameter and variable viscosity parameter. The greater heat transfer rate is observed for variable thermal conductivity parameter. The rates of heat and mass transfer slow down for thermal and solutal time relaxation parameters respectively. The concentration profile gets enriched by growing the order of the chemical reaction and variable mass diffusivity parameter. It is concluded that by increasing solid volume fraction up to$$1.5\%$$1.5%, the viscosity of the nanolubricant enhances up to$$12\%$$12%which consequently slows down motion of the nanolubricant but increases temperature and concentration profiles.
Acidified biochar improves lead tolerance and enhances morphological and biochemical attributes of mint in saline soil
Authors: Shahzad Azhar Sohail , Younis Uzma , Naz Nargis , Danish Subhan , Syed Asad , Elgorban Abdallah M. , Eswaramoorthy Rajalakshmanan , Huang Shoucheng , Battaglia Martin Leonardo
Published: May 2023

Lead (Pb) toxicity is a significant environmental issue, especially in areas with a past of industrial activities and mining. The existence of Pb in the soil can have negative impacts on plant growth and development, and it can also pose a risk to human health through the food chain. Acidified carbon has shown promise as an effective management technology for mitigating Pb toxicity. This study provides important insights into the potential of acidified biochar as a low-cost and eco-friendly method for managing Pb-contaminated soils. The current study explores the effectiveness of acidified biochar (AB) in alleviating Pb stress in mint. The study involved two levels of Pb (0 = control and 200 mg/kg Pb) and four levels of AB as treatments (0, 0.45, 0.90, and 1.20%). Results indicate that 1.20% AB was the most effective treatment, significantly decreasing root and shoot Pb concentration while enhancing shoot and root fresh and dry weight, shoot and root length, and shoot and root N, P, and K concentration. Moreover, a significant decrease in MDA (0.45AB, 0.90AB, and 1.20AB caused a decline in MDA content by 14.3%, 27.8%, and 40.2%, respectively) and an increase in ascorbic acid (0.45AB, 0.90AB, and 1.20AB led to an increase in ascorbic acid content of 1.9%, 24.8%, and 28.4%, respectively) validated the effectiveness of 1.20% AB compared to the control. Adding 0.45AB, 0.90AB, and 1.20AB led to an increase in soluble sugar content of 15.6%, 27.5%, and 32.1%, respectively, compared to the treatment without AB. Further investigations at the field level are suggested to confirm the efficacy of 1.20% AB as the best treatment against Pb toxicity in saline soil conditions.
An adaptive three-dimensional hydrodynamic focusing microfluidic impedance flow cytometer
Authors: Zhou Yang , Wang Jiao , Liu Ting , Wu Man , Lan Yuwei , Jia Chunping , Zhao Jianlong
Published: May 2023

Lateral focusing is achieved by squeezing the middle sample stream from both sides at the intersection, while longitudinal adaptive focusing is achieved through V-shaped convergence and height difference.
Cage-like structures based on constrained cyclic arylopeptoids
Authors: Akhdar Ayman , Nauton Lionel , Jouffret Laurent , Faure Sophie , Gautier Arnaud
Published: May 2023

Selective access to cupola-like bis-triazolium architectures thanks to copper(i) N-heterocyclic carbene led to well-structured cage with potential for oxoanion recognition.
Experimental confirmation of the formation of a spin polariton in dilute solutions of paramagnetic particles
Authors: Salikhov K. M. , Bakirov M. M. , Zaripov R. B. , Khairutdinov I. T.
Published: May 2023

In this work, we present an experimental confirmation of the resonant frequency dependence of the spin ensemble on the microwave power for nitroxide radical [15N]-4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl in toluene.
Exploring the luminescence properties and sensing mechanism of a turn-on TADF probe for sulfite
Authors: Wang Xiaofei , Zhang Qun , Wu Zhimin , Li Xiaofang , Zhang Kai , Song Yuzhi , Fan Jianzhong , Lin Lili , Wang Chuan-Kui , Wang Zhongjie
Published: May 2023

The luminescence properties and responsive mechanisms of TADF probes for sensing sulfite.
Magnetocaloric effect and magnetic ordering in GdFe1−xTxSi, T = Cr, V, Ni
Authors: Kuchin A. G. , Platonov S. P. , Mukhachev R. D. , Lukoyanov A. V. , Volegov A. S. , Gaviko V. S. , Yu. Yakovleva M.
Published: May 2023

Changes in the Curie temperature, TC (), of GdFe1−xTxSi, T = Cr, V, Ni, can be caused by the corresponding changes in the density of states (DOS) () at the Fermi level (EF). The electronic structure, magnetic ordering and moments of GdFe1−xTxSi, T = Cr, V, Ni, are calculated using the DFT+U method.
Simultaneous observation of halogen–lone pair and halogen–π interactions of ferrocene derivatives under cryogenic conditions
Authors: Kreienborg Nora M. , Otte Felix , Strohmann Carsten , Merten Christian
Published: May 2023

Cryospectroscopy in liquid xenon and solid argon is used to characterize halogen bonding and halogen–π interactions and the thermodynamically most favorable structures are determined.
Si-modified Mn–Ce oxide catalysts for selective catalytic reduction of NOx with NH3 at low temperatures
Authors: Wang Shuai , Zhu Na , Xu Pengpeng , Li Shuai , Chen Di
Published: May 2023

Si-modified Mn–Ce oxide catalysts were prepared by a co-precipitation method for the selective catalytic reduction of NOx with NH3 (NH3-SCR).
Correction: Carbon nano-onions from waste oil for application in energy storage devices
Authors: Jung SungHoon , Myung Yusik , Das Gouri Sankar , Bhatnagar Amit , Park Jun-Woo , Tripathi Kumud Malika , Kim TaeYoung
Published: May 2023

Correction for ‘Carbon nano-onions from waste oil for application in energy storage devices’ by SungHoon Jung et al., New J. Chem., 2020, 44, 7369–7375, https://doi.org/10.1039/D0NJ00699H.
Targeted recovery of metals from thermoelectric generators (TEGs) using chloride brines and ultrasound
Authors: Zante Guillaume , Daskalopoulou Evangelia , Elgar Christopher E. , Rivera Rodolfo Marin , Hartley Jennifer M. , Simpson Kevin , Tuley Richard , Kettle Jeff , Abbott Andrew P.
Published: May 2023

Recycling of thermoelectric materials: thermoelectric leg and copper plates removed by targeted oxidation or thermoelectric legs removed by high-intensity ultrasonication.
An Assessment of Hearing Health Care Needs in Rural West Central and South Alabama
Authors: Hay-McCutcheon Marcia J. , Brothers Emma B. , Allen Rebecca S.
Published: May 2023

Purpose:

Hearing loss has become a significant public health concern because of its association with physical health, cognition, and emotional well-being. Age-related hearing loss is the third leading cause of global years lived with disability after lower back pain and migraine. Among other sensory disorders, hearing loss is ranked first. To help mitigate these health concerns, access to affordable hearing health care across rural and urban communities will be necessary.

Method:

For this study, the needs of rural communities and their residents with hearing loss were explored. Individual interviews and focus group discussions with 26 adults with hearing loss, 14 friends and family of those with hearing loss, and 25 community members who worked and lived in rural communities were conducted.

Results:

Collectively, four themes emerged from qualitative analysis of the comments from all three groups, including Communication and Other Related Hearing Loss Issues, Social and Emotional Issues, Dealing with Hearing Loss, and Addressing Hearing Loss in the Community. Factors associated with the themes were mapped onto the Meikirch Model of Health to determine potential areas of intervention within the individual, society, and environment components of the model.

Conclusion:

Future care mitigating health concerns for adults with hearing loss living in rural communities will involve interprofessional collaboration and increased access to hearing health care.
Coordinated suppression strategies for passive and active resonances of the MMC‐HVDC AC‐side system on the medium‐ and high‐frequency bands
Authors: Dai Feng , Liu Shenquan , Wang Gang , Zeng Dehui
Published: May 2023

The medium‐ and high‐frequency resonance between modular multilevel converters (MMCs) and the AC grid has attracted increasing attention due to the frequent occurrence of resonance events in recent years. Therefore, resonance issues are analyzed, and corresponding suppression strategies are proposed in this paper. First, the analytical expression of the MMC AC‐side impedance is established. Then, the mechanism and influencing factors of different types of resonances, including active resonance and passive resonance, are analyzed to provide a more comprehensive perspective. To aid the suppression of these resonances, resonance risk indexes are defined to evaluate the resonance risk, and then the suppression effects of different strategies are compared through analytical calculations. Subsequently, coordinated resonance suppression strategies suitable for different resonance situations are proposed. The key points of the suppression strategies are to suppress the negative damping of MMC impedance at the resonance frequency and improve the integrated impedance of the MMC AC‐side system. Finally, the proposed suppression strategies are verified by simulation results.
Effect of requirements specification using native language on external software quality
Authors: Uyaguari Fernando , Guevara‐Vega Cathy , Quiña‐Mera Antonio , Uyaguari Alvaro , Acosta Cristina
Published: May 2023

In the context of requirements specification in Global Software Development, aspects such as differences in culture, language and schedule affect software development teams; however, we do not know the effect of these issues. Compare the native language requirements with the foreign language requirements concerning external quality. We conducted a controlled experiment of one‐factor two treatments within‐subjects with 17 experimental subjects. Wilcoxon test indicates that there is evidence to reject the null hypothesis (p‐value = 0.008); there is a statistically significant difference. The external quality value obtained with native language requirements is superior to the external quality produced with the foreign language. The effect size equals an absolute value of 0.45, which corresponds to a medium effect. The language used in the requirements specification influences the external quality; using the native language in the requirements specification significantly increases the external quality. The result obtained in this research should be considered to evaluate the roles and English language skills of GSD team members and their effect on external software quality. We also suggest considering the English language skills of the experimental subjects in the experimental laboratories since language could influence the results of the experiments.
Sinnzentrierte Psychotherapie in der psychoonkologischen
Versorgung
Authors: Vibrans Laura , Lehmann-Laue Antje , Mehnert-Theuerkauf Anja
Published: May 2023

Eine Krebserkrankung kann mit starken emotionalen Belastungen einhergehen.
Insbesondere Menschen mit fortgeschrittener Erkrankung berichten über
ein breites Spektrum an Symptomen, das unter dem Begriff der existenziellen
Belastung zusammengefasst wird. Diese Form der Belastung ist mit
Einschränkungen der Lebensqualität bis hin zu Suizidgedanken
assoziiert. Sinnzentrierte Psychotherapie ist wirksam hinsichtlich der Reduktion
existenzieller Belastung.
Erfahrungen von HausärztInnen mit COVID-19 und der Pandemie
– ein Survey nach der ersten Pandemiewelle im März/April
2020
Authors: Schrader Hanna , Borgulya Gábor , Parisi Sandra , Joos Stefanie , Kaduszkiewicz Hanna , Barzel Anne , Raus Christina , Sanftenberg Linda , Kühlein Thomas , Maun Andy , Schmidt Julia , Linde Klaus , Gágyor Ildikó
Published: May 2023

Ziel der Studie Die erste COVID-19-Pandemiewelle
(März–April 2020) hat die hausärztliche Versorgung vor
große Herausforderungen gestellt. Ziel der Studie war es zu untersuchen,
wie belastend HausärztInnen die Krisensituation zu Pandemiebeginn und im
weiteren Pandemieverlauf erlebt haben. Zusätzlich sollten
prädiktive Faktoren für das Überforderungsgefühl
identifiziert werden.

Methode Von August bis Oktober 2020 erfolgte eine Querschnittsbefragung
von Hausarztpraxen in vier Bundesländern zur Versorgungsrealität
sowie zu psychischen Belastungen im Rahmen der Coronapandemie. Insgesamt 6300
zufällig ausgewählte HausärztInnen wurden
angeschrieben.

Ergebnisse Die Rücklaufquote betrug 23%. 46% der
Teilnehmenden waren weiblich. 40% der Teilnehmenden gaben an, zu Beginn
der Pandemie unter einem großen oder sehr großen
Überforderungsgefühl gelitten zu haben, zum Befragungszeitpunkt
äußerten dies nur noch 10%. Mit steigender Anzahl der
COVID-19-PatientInnen nahm das Gefühl der Überforderung zu;
gleichzeitig stieg auch die selbst eingeschätzte Kompetenz,
COVID-19-PatientInnen zu versorgen. Unter anderem trugen eine hohe psychische
Belastung, hoher Organisationsaufwand, eine schlechte
selbsteingeschätzte Kompetenz bei der Versorgung von
COVID-19-PatientInnen und mangelnde Versorgung mit Schutzausrüstung zum
Überforderungserleben der HausärztInnen bei.

Schlussfolgerung Trotz anfänglicher Überforderung
fühlten sich HausärztInnen zunehmend kompetent in der Versorgung
von COVID-19-PatientInnen. Um HausärztInnen in Krisensituationen
zukünftig besser zu unterstützen, sollten organisatorische
Tätigkeiten möglichst vereinfacht werden, um das Augenmerk auf
die PatientInnenversorgung legen zu können.
Entwicklung und interne Validierung von Falldefinitionen für
die Prävalenzschätzung mikrovaskulärer Komplikationen
des Diabetes in Routinedaten
Authors: Reitzle Lukas , Köster Ingrid , Tuncer Oktay , Schmidt Christian , Meyer Ingo
Published: May 2023

Hintergrund Für die Surveillance von Diabetes bedarf es aktueller
Daten zur Prävalenz des Diabetes und seiner Komplikationen im zeitlichen
Verlauf. Hierbei werden zunehmend Daten der gesetzlichen Krankenversicherung
(GKV) genutzt, da diese zeitnah zur Verfügung stehen und die Fallzahlen
detaillierte Schätzungen auch von Diabeteskomplikationen erlauben. Ziel
der vorliegenden Studie war die Entwicklung und interne Validierung von
Falldefinitionen für die Prävalenzschätzung der
diabetischen Retinopathie (DRP), der diabetischen Polyneuropathie (DPN) und des
diabetischen Fußsyndroms (DFS).

Methodik Datengrundlage der Studie bilden Personen mit Diabetes
unterschieden nach Typ-1-, Typ-2- und sonstigem Diabetes in einer alters- und
geschlechtsstratifizierten Stichprobe von Barmer Versicherten im Jahr 2018
(n=72.744). Ausgehend von den zentralen ICD-Codes für die
mikrovaskulären Komplikationen (DRP: H36.0; DPN: G63.2; DFS:
E1X.74/.75) wurden Falldefinitionen unter Einbezug weiterer ICD-Codes,
die die Komplikation ohne direkten Diabetesbezug verschlüsseln,
entwickelt. Anschließend wurden die Falldefinitionen intern validiert.
Hierfür wurden eine Codierung im stationären (m1S) oder
wiederholt im ambulanten Bereich (m2Q) sowie eine Codierung spezifischer
Leistungen (EBM, OPS) und Arzneimittelverordnungen oder durch relevante
Facharztgruppen betrachtet. Abschließend wurde das Vorliegen der
Diagnosen in den Vorjahren analysiert.

Ergebnisse Im Jahr 2018 betrug die Prävalenz der zentralen
ICD-Codes der DRP (H36.0) 8,4%, der DPN (G63.2) 18,9% und des
DFS (E1X.74/.75) 13,4%. Unter Einbezug weiterer ICD-Codes in die
Falldefinitionen erhöhten sich die Prävalenzen für DRP
(9,6%) und DPN (20,7%) deutlich, für DFS kaum
(13,5%). Die interne Validierung bestätigte den Großteil
der Diagnosen (DRP: 96,7%; DPN: 96,5% DFS: 95,8%) und
m2Q stellte das relevanteste Kriterium dar. Bei Berücksichtigung von bis
zu vier Vorjahren fielen die Prävalenzen für DPN und DFS um bis
zu 30% und für DRP um bis zu 64% höher aus.

Schlussfolgerung Der Einbezug zusätzlicher ICD-Codes in die
Falldefinition von mikrovaskulären Komplikationen des Diabetes erscheint
sinnvoll, da diese die Sensitivität der
Prävalenzschätzung erhöht. Die interne Validierung
deutet darauf hin, dass die dokumentierten Diagnosen plausibel sind. Allerdings
wird ein Teil der Diagnosen nicht jährlich dokumentiert, was zu einer
Unterschätzung in der querschnittlichen Betrachtung eines Jahres
führt.
A Prospective Open-Label Study for Treatment of Infraorbital Hollows Using a Volumizing Hyaluronic Acid Filler
Authors: Smith Scott W. , Massey Blaine L. , Hall Michael B. , Buckingham Edward D.
Published: May 2023

This study aimed to prospectively evaluate the effectiveness, patient satisfaction, and early adverse events of using the hyaluronic acid filler VYC-20L for the treatment of infraorbital hollowing. A total of 21 participants underwent injection of VYC-20L. FACE-Q satisfaction surveys before and after treatment along with early adverse events surveys were conducted. Pre- and posttreatment photos were graded, and the Allergan Infraorbital Hollows Scale was used to assess the difference in infraorbital hollowing. The results showed infraorbital hollowing improvement with VYC-20L was significant (p < 0.001). FACE-Q Satisfaction with Eyes scores on average were 27 points higher after treatment (p < 0.001). The mean FACE-Q Satisfaction with Decision score was 74.1%. The most common short-term adverse symptoms were tenderness (67%), swelling (62%), and bruising (52%). This study concludes that VYC-20L is an effective nonsurgical treatment option for infraorbital hollowing with high patient satisfaction.
A New Method for the Introduction of an Acylsulfonamide Moiety Applied to a 3-Substituted Functionalized Indole Framework ­Related to the Welwitindolinone Alkaloids
Authors: Menéndez J. Carlos , Ruiz-Serrano Miriam , López-Alvarado Pilar
Published: May 2023

The one-pot reaction between an α-formylcyclohexanone derivative and tosyl azide in the presence of rhodium trifluoroacetate dimer afforded an acylsulfonamide derivative. This transformation is proposed to arise from a domino mechanism involving the in situ generation, through the Regitz method, of an α-diazoketone, followed by its transformation into a rhodium carbenoid and its combination with N-tosylformamide, generated as a side product of the first step of the mechanism. Overall, this transformation leads to the generation of a C–N bond between the formyl carbon and the azide nitrogen adjacent to the sulfonyl group.
Smart Hydrogel Reactor of Poly(N-isopropylacrylamide)/Polyethylene Glycol Interpenetrating Polymer Networks for Oxidative Coupling of 2-Naphthol
Authors: Habaue Shigeki , Chen Minghao , Watanabe Takumi
Published: May 2023

Hydrogels with an interpenetrating polymer network (IPN) structure composed of poly(N-isopropylacrylamide) (poly-NIPAM) gel and a gel containing polyethylene glycol (PEG) chains were synthesized. They showed a typical temperature-responsive volume change in water owing to the constructed poly-NIPAM gel component. Oxidative coupling of 2-naphthol with IPN cryogels and a conventional catalyst, the CuCl2 complex of N,N,N′,N′-tetramethylenediamine, was conducted in water under an O2 atmosphere; the IPN gel prepared from PEG with a larger molecular weight of 11000 afforded a product with a good yield of 73% (91% conv.) during the reaction in basic media. The hydrogel effectively promoted the reaction but hardly produced any product without the catalyst, acting as a reactor vessel in the water. Owing to the low durability of the PEG gel component for hydrolysis, a limitation was also suggested during experiments on the recyclability of the hydrogel.
Optimizing Auditory Brainstem Response Test with Narrow Band Level-Specific CE-Chirps
Authors: Bal Nilüfer , Gedik Toker Özge , Hüsam Hilal , Özdemir Sümeyye , Lien Bartlomiej Dao
Published: May 2023

Objective The aim of the study was to evaluate the effects of narrow band level-specific Claus Elberling-Chirp (NB LS CE-Chirp) and LS CE-Chirp stimuli on the amplitudes, latencies, and interpeak latencies in comparison with tone burst (TB) and click.

Methods A total of 40 ears (10 males, 10 females; age range: 20–26) individuals who had no complaints related to hearing participated in the study. Differences between click and LS CE-Chirp, frequency-specific (500—1,000—2,000—4,000) TB, and NB LS CE-Chirp were investigated at stimuli intensity of 70 decibel normal hearing loss (dBnHL).

Results Absolute latencies were obtained longer in LS CE-Chirp than click stimulus, except wave V. At all frequencies, absolute latencies of I-III-V waves obtained with TB were significantly longer than those obtained with NB LS CE-Chirp. Amplitudes were higher in NB LS CE-Chirp compared to click and TB at all frequencies except 500 Hz.

Conclusion The use of NB LS CE-Chirp is advantageous in patient assessment, but the benefit decreases at low frequencies. The differences in latency values of the stimuli should be taken into account in order to make a reliable interpretation of the results.
New Markers for Management of Mesothelioma
Authors: Nash Alistair , Firth née Phan Tina , Creaney Jenette
Published: May 2023

In this review, we provide an update on the status of cancer biomarkers for the clinical management of pleural mesothelioma, an aggressive cancer associated with asbestos exposure. Mesothelioma can be difficult to diagnose, and response to treatment is transient, even with recently adopted immune checkpoint inhibitor (ICI) combinations. Identification of mesothelioma-specific biomarkers could facilitate early diagnosis and tailor treatment strategies. Mesothelioma is characterized by frequent loss or alteration of the tumor suppressor genes cyclin-dependent kinase inhibitor 2A (CDKN2A) and BRCA1-associated protein-1 (BAP1). Accumulating data show these genes and/or their related protein products will be valuable tissue-based biomarkers for mesothelioma. Loss of BAP1, CDKN2A, p16, or methylthioadenosine phosphorylase provide pathologists with a reliable means of differentiating between mesothelioma and reactive mesothelial cell proliferations. This can aid diagnosis in difficult cases and is requisite for the identification of the new pathological entity malignant mesothelioma in situ. However, limited progress in identifying clinically useful soluble biomarkers in this cancer type has been made, with mesothelin remaining the benchmark. To date, results from studies to identify predictive biomarkers for ICI response have been disappointing. A recent retrospective study demonstrated BAP1 loss was predictive of improved survival following combination pemetrexed- and platinum-based chemotherapy. Validation of this result could have important clinical implications. Clinical trials aimed at targeting therapy based on biomarker expression are generally in the early phase setting, with overall results being moderate. The identification of biomarkers for mesothelioma remains a key research question due to their potential to improve patient outcomes in this deadly cancer.
Experimental examination of the phase transition of water on silica at 298 K
Authors: Saber Sepehr , Narayanaswamy Nagarajan , Ward C. A. , Elliott Janet A. W.
Published: May 2023

The objective of this study was to investigate the prediction of the wetting characteristics obtained from the equilibrium adsorption analysis using the Zeta adsorption isotherm approach with an experimental study. Water vapor’s adsorption and wetting characteristics on a hydroxylated and nano-polished silica substrate were studied in near-equilibrium conditions at temperatures near 298 K. Using a UV–visible interferometer, water vapor adsorbate film thicknesses were measured and converted into amount adsorbed per unit area. The current results show that the wetting transition occurred at an average subcooling value of 0.39 K, less than the predicted value of 0.49 K. All the different experimental observations showed growth of film thickness as a function of subcooling value with a maximum film thickness of 12.6 nm. The analysis of the results further showed that the maximum stable film was in a metastable state that then condensed in a dropwise manner, if perturbed by increasing the subcooling. The study further revealed that the adsorbate is unstable after transitioning. The solid surface energy calculated by including the near-equilibrium observations was comparable and close to that of the equilibrium studies, thus supporting solid surface energy as a material property.