bluuebunny/crossref_metadata_2025 huggingface dataset:
Single-cell transcriptomics defines an improved, validated monoculture protocol for differentiation of human iPSC to microglia
Authors: Washer Sam J. , Perez-Alcantara Marta , Chen Yixi , Steer Juliette , James William S. , Trynka Gosia , Bassett Andrew R. , Cowley Sally A.
Published: November 2022

There is increasing genetic evidence for the role of microglia in neurodegenerative diseases, including Alzheimer’s, Parkinson’s, and motor neuron disease. Therefore, there is a need to generate authentic in vitro models to study human microglial physiology. Various methods have been developed using human induced Pluripotent Stem Cells (iPSC) to generate microglia, however, systematic approaches to identify which media components are actually essential for functional microglia are mostly lacking. Here, we systematically assess medium components, coatings, and growth factors required for iPSC differentiation to microglia. Using single-cell RNA sequencing, qPCR, and functional assays, with validation across two labs, we have identified several medium components from previous protocols that are redundant and do not contribute to microglial identity. We provide an optimised, defined medium which produces both transcriptionally and functionally relevant microglia for modelling microglial physiology in neuroinflammation and for drug discovery.
A general framework for optimising cost-effectiveness of pandemic response under partial intervention measures
Authors: Nguyen Quang Dang , Prokopenko Mikhail
Published: November 2022

The COVID-19 pandemic created enormous public health and socioeconomic challenges. The health effects of vaccination and non-pharmaceutical interventions (NPIs) were often contrasted with significant social and economic costs. We describe a general framework aimed to derive adaptive cost-effective interventions, adequate for both recent and emerging pandemic threats. We also quantify the net health benefits and propose a reinforcement learning approach to optimise adaptive NPIs. The approach utilises an agent-based model simulating pandemic responses in Australia, and accounts for a heterogeneous population with variable levels of compliance fluctuating over time and across individuals. Our analysis shows that a significant net health benefit may be attained by adaptive NPIs formed by partial social distancing measures, coupled with moderate levels of the society’s willingness to pay for health gains (health losses averted). We demonstrate that a socially acceptable balance between health effects and incurred economic costs is achievable over a long term, despite possible early setbacks.
Spatial–temporal contrast sensitivity of the eye alignment reflex
Authors: Dhungel Deepa , Stevenson Scott B.
Published: November 2022

The binocular alignment of the eyes involves both voluntary and reflexive mechanisms, but little is known about the visual input and neurological pathway of the reflex component. Our studies examined the role of spatiotemporal frequency and contrast in the control of reflex eye alignment, and compared the contrast sensitivity of the alignment reflex with psychophysical contrast sensitivity. We measured the contrast sensitivity of vertical disparity-driven vergence eye movements in response to bandwidth filtered static or 6 Hz counterphase flickering noise and measured psychophysical detection sensitivity for the same stimuli. Contrast thresholds for producing a detectable vertical alignment change (measured with nonius lines) were determined using a staircase method for 7 spatial frequencies [0.25–16 cycles per degree] and 3 vertical disparities [5, 10, and 30 arcmin] in 7 adults with normal or corrected to normal vision. The main findings of this study are, (1) the vertical alignment reflex had overall relatively high contrast sensitivity, comparable to but somewhat less than visual detection thresholds, (2) the most effective stimulus spatial frequency scaled in inverse proportion to the disparity being stimulated, and (3) unlike psychophysical contrast sensitivity, the eye alignment reflex contrast sensitivity was not improved by flickering low spatial frequencies.
Failure energy evolution of coal–rock combination with different inclinations
Authors: Yu Yongjiang , Liu Jingjing , Yang Yuntao , Wang Pengbo , Wang Zhenmeng , Song Zhiyuan , Liu Jiaming , Zhao Shangqing
Published: November 2022

In this paper, in the deformation and damage process under different confining pressures, the energy evolution characteristics and damage mechanism of coal–rock combinations with different inclination angles are studied. Based on the brittleness indexes of coal rock combinations, the evolution rules between brittleness indexes and the inclination are explored, as well as the confining pressure of coal rock combinations; then, the influence mechanism of the inclination angle of coal rock combinations on the plastic yielding degree, energy dissipation level, crack extension and fracture speed in the pre-peak stage is revealed. The composite specimens are mainly damaged due to oblique shear and accompanied by tensile damage; In the deformation and damage, various energies of coal rock composites are distributed as a negative exponential function of the inclination angle, which is significantly affected by the change of the confining pressure.
Inducer-free cellulase production system based on the constitutive expression of mutated XYR1 and ACE3 in the industrial fungus Trichoderma reesei
Authors: Arai Toshiharu , Ichinose Sakurako , Shibata Nozomu , Kakeshita Hiroshi , Kodama Hiroshi , Igarashi Kazuaki , Takimura Yasushi
Published: November 2022

Trichodermareesei is a widely used host for producing cellulase and hemicellulase cocktails for lignocellulosic biomass degradation. Here, we report a genetic modification strategy for industrial T.reesei that enables enzyme production using simple glucose without inducers, such as cellulose, lactose and sophorose. Previously, the mutated XYR1V821F or XYR1A824V was known to induce xylanase and cellulase using only glucose as a carbon source, but its enzyme composition was biased toward xylanases, and its performance was insufficient to degrade lignocellulose efficiently. Therefore, we examined combinations of mutated XYR1V821F and constitutively expressed CRT1, BGLR, VIB1, ACE2, or ACE3, known as cellulase regulators and essential factors for cellulase expression to the T.reesei E1AB1 strain that has been highly mutagenized for improving enzyme productivity and expressing a ß-glucosidase for high enzyme performance. The results showed that expression of ACE3 to the mutated XYR1V821F expressing strain promoted cellulase expression. Furthermore, co-expression of these two transcription factors also resulted in increased productivity, with enzyme productivity 1.5-fold higher than with the conventional single expression of mutated XYR1V821F. Additionally, that productivity was 5.5-fold higher compared to productivity with an enhanced single expression of ACE3. Moreover, although the DNA-binding domain of ACE3 had been considered essential for inducer-free cellulase production, we found that ACE3 with a partially truncated DNA-binding domain was more effective in cellulase production when co-expressed with a mutated XYR1V821F. This study demonstrates that co-expression of the two transcription factors, the mutated XYR1V821F or XYR1A824V and ACE3, resulted in optimized enzyme composition and increased productivity.
Factors associated with meeting the WHO physical activity recommendations in pregnant Colombian women
Authors: López-Gil José Francisco , Izquierdo Mikel , García-Hermoso Antonio , Alonso-Martínez Alicia M. , Rincón-Pabón David , Morales-Osorio Marco Antonio , Ramírez-Vélez Robinson
Published: November 2022

In the absence of medical contraindications, physical activity (PA) can offer health maternal and fetal health outcomes during pregnancy. However, most pregnant women may not consider PA to be feasible, suitable and safe. Hence, it is essential to determine the prevalence of pregnant women who meet the PA recommendations and the possible factors associated with that meeting, since it might be important from the perspective of pregnant women's health. The aim of the present study was to establish the prevalence of meeting the World Health Organization PA recommendations for Colombian pregnant women, as well as possible factors that may be associated with meeting that recommendations. A cross-sectional study including representative data from the National Nutritional Situation Survey (2015) in Colombia was performed. Data were collected in 2015–2016. From an initial sample of 1140 Colombian pregnant women, 702 participants with complete data were included in the final analysis. PA was assessed by self-reported information through the long version of the International Physical Activity Questionnaire. Several potential factors were analysed according to four levels of the socioecological model: the individual, interpersonal, organizational and community levels. The prevalence of Colombian pregnant women who met with the PA recommendations was 7.5%. Indigenous and Mestizo pregnant women showed lower probabilities of meeting the PA recommendations [Indigenous: OR 0.05, 95% CI (0.01–0.18); Mestizo: OR 0.12, 95% CI (0.06–0.22)] than Afro-Colombian participants. Additionally, participants who lived near green and safe spaces for PA were more likely to meet the PA recommendations [OR 2.30, 95% CI (1.06–4.79)] than those who did not live near green areas. In conclusion, a low percentage of Colombian pregnant women met the new PA recommendations. The associations found according to race/ethnicity and living near green and safe areas underline the presence of fundamental disparities associated with meeting PA recommendations.
Hot spring bathing is associated with a lower prevalence of hypertension among Japanese older adults: a cross-sectional study in Beppu
Authors: Yamasaki Satoshi , Tokunou Tomotake , Maeda Toyoki , Horiuchi Takahiko
Published: November 2022

Hot spring bathing is practiced to help manage various diseases, including hypertension. We investigated the preventive effects on hypertension of hot spring bathing among older adults in a data analysis using responses to a previous questionnaire with the aim to identify a novel approach in the prevention and management of hypertension. Among 10,428 adults aged ≥ 65 years, we assessed the hot spring bathing habits of 4001 individuals with a history of hypertension. We calculated odds ratios (OR) with 95% confidence intervals using a multivariable logistic regression model for history of hypertension. In multivariable logistic regression, age (≥ 85 years: OR, 1.410); history of arrythmia (OR, 1.580), stroke (OR, 1.590), gout (OR, 1.880), diabetes mellitus (OR, 1.470), hyperlipidemia (OR, 1.680), renal disease (OR, 1.520), chronic hepatitis (OR, 0.648); and hot spring bathing at 19:00 or later (OR, 0.850) were independently and significantly associated with hypertension during the lifetime. We found an inverse relationship between habitual nighttime hot spring bathing and a history of hypertension. Prospective randomized controlled trials on nighttime hot spring bathing as a treatment for hypertension are warranted to investigate whether nighttime hot spring bathing can help in preventing hypertension among adults aged ≥ 65 years.
Influence of forward head posture on muscle activation pattern of the trapezius pars descendens muscle in young adults
Authors: Nishikawa Yuichi , Watanabe Kohei , Chihara Takanori , Sakamoto Jiro , Komatsuzaki Toshihiko , Kawano Kenji , Kobayashi Akira , Inoue Kazumi , Maeda Noriaki , Tanaka Shinobu , Hyngstrom Allison
Published: November 2022

Forward head posture (FHP) is a serious problem causing head and neck disability, but the characteristics of muscle activity during long-term postural maintenance are unclear. This study aimed to investigate a comparison of electromyography (EMG) activation properties and subjective fatigue between young adults with and without habitual FHP. In this study, we examined the changes in the spatial and temporal distribution patterns of muscle activity using high-density surface EMG (HD-SEMG) in addition to mean frequency, a conventional measure of muscle fatigue. Nineteen male participants were included in the study (FHP group (n = 9; age = 22.3 ± 1.5 years) and normal group (n = 10; age = 22.5 ± 1.4 years)). Participants held three head positions (e.g., forward, backward, and neutral positions) for a total of 30 min each, and the EMG activity of the trapezius pars descendens muscle during posture maintenance was measured by HD-SEMG. The root mean square (RMS), the modified entropy, and the correlation coefficient were calculated. Additionally, the visual analogue scale (VAS) was evaluated to assess subjective fatigue. The RMS, VAS, modified entropy, and correlation coefficients were significantly higher in the FHP group than in the normal group (p < 0.001). With increasing postural maintenance time, the modified entropy and correlation coefficient values significantly decreased, and the mean frequency and VAS values significantly increased (p < 0.001). Furthermore, the forward position had significantly higher RMS, correlation coefficient, modified entropy, and VAS values than in the neutral position (p < 0.001). The HD-SEMG potential distribution patterns in the FHP group showed less heterogeneity and greater muscle activity in the entire muscle and subjective fatigue than those in the normal group. Excess muscle activity even in the neutral/comfortable position in the FHP group could potentially be a mechanism of neuromuscular conditions in this population.
Highly efficient photodegradation of raw landfill leachate using cost-effective and optimized g-C3N4/SnO2/WO3 quantum dots under Vis–NIR light
Authors: Samadi Amirmohsen , Delnavaz Mohammad , Rashtizadeh Ali , Heidarzadeh Nima
Published: November 2022

In this study, photodegradation of raw landfill leachate under Vis–NIR irradiation and sunlight has been investigated using optimized g-C3N4/SnO2/WO3 quantum dots as a novel nanocomposite. g-C3N4/SnO2/WO3 QDs was successfully synthesized and characterized using various analyses. The best mixing ratios of the nanocomposite components were obtained by response surface methodology (RSM). The morphology and the surface area characteristics of the photocatalyst were investigated by scanning and transmission electron microscopy (SEM and TEM) and Brunauer, Emmett and Teller (BET) analysis. Results of UV–Visible diffuse reflectance spectroscopy (UV–Vis DRS) and photoluminescence (PL) spectrum revealed that the nanocomposite has a great light absorption capacity and improved separation of charge carriers. Using the optimized nanocomposite with the best mixing ratios of urea, SnO2, and WO3 QDs solution, obtained from the central composite design (CCD), the chemical oxygen demand (COD) of the leachate (4575 mg/L) was reduced by 74% and 47% in 4 h under visible-NIR and sunlight irradiations, respectively. Gas chromatography–mass spectrometry (GC–MS) analysis also revealed that a significant reduction of aromatic compounds of the raw leachate occurred after the photodegradation process with g-C3N4/SnO2/WO3QDs nanocomposite. Moreover, the stability and recyclability of the photocatalyst were evaluated, and it was observed that after five experimental cycles of leachate degradation, no significant loss of nanocomposite performance could be seen. Financial analysis was also performed, and the feasibility of this process was investigated.
Osteogenic differentiation and proliferation potentials of human bone marrow and umbilical cord-derived mesenchymal stem cells on the 3D-printed hydroxyapatite scaffolds
Authors: Meesuk Ladda , Suwanprateeb Jintamai , Thammarakcharoen Faungchat , Tantrawatpan Chairat , Kheolamai Pakpoom , Palang Iyapa , Tantikanlayaporn Duangrat , Manochantr Sirikul
Published: November 2022

Mesenchymal stem cells (MSCs) are a promising candidate for bone repair. However, the maintenance of MSCs injected into the bone injury site remains inefficient. A potential approach is to develop a bone-liked platform that incorporates MSCs into a biocompatible 3D scaffold to facilitate bone grafting into the desired location. Bone tissue engineering is a multistep process that requires optimizing several variables, including the source of cells, osteogenic stimulation factors, and scaffold properties. This study aims to evaluate the proliferation and osteogenic differentiation potentials of MSCs cultured on 2 types of 3D-printed hydroxyapatite, including a 3D-printed HA and biomimetic calcium phosphate-coated 3D-printed HA. MSCs from bone marrow (BM-MSCs) and umbilical cord (UC-MSCs) were cultured on the 3D-printed HA and coated 3D-printed HA. Scanning electron microscopy and immunofluorescence staining were used to examine the characteristics and the attachment of MSCs to the scaffolds. Additionally, the cell proliferation was monitored, and the ability of cells to differentiate into osteoblast was assessed using alkaline phosphatase (ALP) activity and osteogenic gene expression. The BM-MSCs and UC-MSCs attached to a plastic culture plate with a spindle-shaped morphology exhibited an immunophenotype consistent with the characteristics of MSCs. Both MSC types could attach and survive on the 3D-printed HA and coated 3D-printed HA scaffolds. The MSCs cultured on these scaffolds displayed sufficient osteoblastic differentiation capacity, as evidenced by increased ALP activity and the expression of osteogenic genes and proteins compared to the control. Interestingly, MSCs grown on coated 3D-printed HA exhibited a higher ALP activity and osteogenic gene expression than those cultured on the 3D-printed HA. The finding indicated that BM-MSCs and UC-MSCs cultured on the 3D-printed HA and coated 3D-printed HA scaffolds could proliferate and differentiate into osteoblasts. Thus, the HA scaffolds could provide a suitable and favorable environment for the 3D culture of MSCs in bone tissue engineering. Additionally, biomimetic coating with octacalcium phosphate may improve the biocompatibility of the bone regeneration scaffold.
Feature tracking strain analysis detects the onset of regional diastolic dysfunction in territories with acute myocardial injury induced by transthoracic electrical interventions
Authors: Fischer Kady , Becker Philipp , Mongeon François-Pierre , Yu Janelle , Nadeshalingam Gobinath , Friedrich Matthias G. , Guensch Dominik P.
Published: November 2022

Electric interventions are used to terminate arrhythmia. However, myocardial injury from the electrical intervention can follow unique pathways and it is unknown how this affects regional ventricular function. This study investigated the impact of transthoracic electrical shocks on systolic and diastolic myocardial deformation. Ten healthy anaesthetized female swine received five transthoracic shocks (5 × 200 J) and six controls underwent a cardiovascular magnetic resonance exam prior to and 5 h after the intervention. Serial transthoracic shocks led to a global reduction in both left (LV, − 15.6 ± 3.3% to − 13.0 ± 3.6%, p < 0.01) and right ventricular (RV, − 16.1 ± 2.3% to − 12.8 ± 4.2%, p = 0.03) peak circumferential strain as a marker of systolic function and to a decrease in LV early diastolic strain rate (1.19 ± 0.35/s to 0.95 ± 0.37/s, p = 0.02), assessed by feature tracking analysis. The extent of myocardial edema (ΔT1) was related to an aggravation of regional LV and RV diastolic dysfunction, whereas only RV systolic function was regionally associated with an increase in T1. In conclusion, serial transthoracic shocks in a healthy swine model attenuate biventricular systolic function, but it is the acute development of regional diastolic dysfunction that is associated with the onset of colocalized myocardial edema.
Beneficial influence of single-stage posterior surgery for the treatment of lumbar brucella spondylitis combined with spondylolisthesis
Authors: Zhang Yao , Zhao Changsong , Chen Jiamin , Zhang Qiang
Published: November 2022

We aimed to evaluate the clinical efficacy of the single-stage posterior surgical treatment for patients of lumbar brucella spondylitis combined with spondylolisthesis. In this study, we performed a retrospective analysis of 16 patients with lumbar brucellosis spondylitis combined with spondylolisthesis from January 2015 to January 2019. All patients underwent single-stage posterior lumbar debridement, reduction, interbody fusion, and instrumentation. Preoperative and postoperative of the visual analog scale (VAS), the Oswestry disability index (ODI), erythrocyte sedimentation rate (ESR), and C-reactive protein (CRP) were compared. In addition, the spondylolisthesis reduction rate, reduction loss rate, interbody fusion rate, and complication rate were recorded. VAS, ODI, ESR, and CRP were conducted with repeated analysis of variance data at different follow-ups. The postoperative follow-up was 12–36 months, with an average of (25.0 ± 8.1) months. VAS, ODI, ESR, and CRP were significantly better at 2-week and 1-year follow-up than preoperative results (P = 0.000, respectively). In addition, 1 year after the operation, VAS, ODI, ESR, and CRP showed a significant improvement (P = 0.000, respectively). The average spondylolisthesis reduction in 2 weeks after operation was (91.2 ± 6.7)%, and the median reduction loss rate in 1 year after operation was 8.0 (5.0, 9.8)%. At the last follow-up, all patients achieved interbody fusion, no loosening and fracture of instrumentation were found, and no recurrence happened. Single-stage posterior operation for lumbar debridement, reduction, interbody fusion, and instrumentation is beneficial for treating lumbar brucellosis spondylitis combined with spondylolisthesis. Furthermore, the reconstruction of spinal stability may relieve pain, heal lesions, and improve patients’ living.
Neurocomputational mechanisms of affected beliefs
Authors: Müller-Pinzler Laura , Czekalla Nora , Mayer Annalina V. , Schröder Alexander , Stolz David S. , Paulus Frieder M. , Krach Sören
Published: November 2022

The feedback people receive on their behavior shapes the process of belief formation and self-efficacy in mastering a particular task. However, the neural and computational mechanisms of how the subjective value of self-efficacy beliefs, and the corresponding affect, influence the learning process remain unclear. We investigated these mechanisms during self-efficacy belief formation using fMRI, pupillometry, and computational modeling, and by analyzing individual differences in affective experience. Biases in the formation of self-efficacy beliefs were associated with affect, pupil dilation, and neural activity within the anterior insula, amygdala, ventral tegmental area/ substantia nigra, and mPFC. Specifically, neural and pupil responses mapped the valence of the prediction errors in correspondence with individuals’ experienced affective states and learning biases during self-efficacy belief formation. Together with the functional connectivity dynamics of the anterior insula within this network, our results provide evidence for neural and computational mechanisms of how we arrive at affected beliefs.
Rad regulation of CaV1.2 channels controls cardiac fight-or-flight response
Authors: Papa Arianne , Zakharov Sergey I. , Katchman Alexander N. , Kushner Jared S. , Chen Bi-xing , Yang Lin , Liu Guoxia , Jimenez Alejandro Sanchez , Eisert Robyn J. , Bradshaw Gary A. , Dun Wen , Ali Shah R. , Rodriques Aaron , Zhou Karen , Topkara Veli , Yang Mu , Morrow John P. , Tsai Emily J. , Karlin Arthur , Wan Elaine , Kalocsay Marian , Pitt Geoffrey S. , Colecraft Henry M. , Ben-Johny Manu , Marx Steven O.
Published: November 2022

Fight-or-flight responses involve β-adrenergic-induced increases in heart rate and contractile force. In the present study, we uncover the primary mechanism underlying the heart’s innate contractile reserve. We show that four protein kinase A (PKA)-phosphorylated residues in Rad, a calcium channel inhibitor, are crucial for controlling basal calcium current and essential for β-adrenergic augmentation of calcium influx in cardiomyocytes. Even with intact PKA signaling to other proteins modulating calcium handling, preventing adrenergic activation of calcium channels in Rad-phosphosite-mutant mice (4SA-Rad) has profound physiological effects: reduced heart rate with increased pauses, reduced basal contractility, near-complete attenuation of β-adrenergic contractile response and diminished exercise capacity. Conversely, expression of mutant calcium-channel β-subunits that cannot bind 4SA-Rad is sufficient to enhance basal calcium influx and contractility to adrenergically augmented levels of wild-type mice, rescuing the failing heart phenotype of 4SA-Rad mice. Hence, disruption of interactions between Rad and calcium channels constitutes the foundation toward next-generation therapeutics specifically enhancing cardiac contractility.
Occurrence of ENPs and Nanoplastics in Different Environmental Compartments: An Overview
Authors: Jiménez-Lamana J. , Szpunar J.
Published: November 2022

This chapter provides a brief overview of the current knowledge on the presence of nanoparticles and nanoplastics in different environmental compartments like air, water, soil and living organisms. It is based on literature data from peer reviewed journals and intends to highlight the most pressing problems and research needs related to these emerging environmental contaminants.
Investigation of Airborne Nanoparticles: The Focus on Analytical Chemistry
Authors: Smichowski Patricia , Gómez Darío R.
Published: November 2022

The use of nanoparticles (NPs) in commercial products and industrial processes has exponentially increased in the last 15 years due to their unique physical and chemical properties at nanoscales. The projected scenario would indicate a continuously increasing growth. This fact has inevitably led to the release of NPs into the environment. Their fate, biodegradation, persistence, behavior and stability in the atmosphere play important roles in determining their distribution and exposure routes that also pose a risk to human health. This chapter provides an overview of NP attributes and characteristics with a comprehensive description of the different natural and anthropogenic sources including stationary and mobile sources originated by combustion and wear, and nano-engineered particles. A variety of methodologies most employed for the determination of NPs is described. A complete characterization profile of NPs is still a challenging task. Many of the techniques used are complementary and in most cases several and complex techniques are necessary to reach a comprehensive characterization. Much work has been done and there is still much more to be done to improve the sensitivity and selectivity of the techniques used for NP characterization. Aspects related to the potential toxicity of airborne NPs and health effects are not covered.
Fate and Transport of Engineered Nanoparticles in Porous Media
Authors: Yecheskel Y. , Dror I.
Published: November 2022

This chapter presents the leading processes that control the fate and transport of engineered nanoparticles (ENPs) in soil and groundwater. Because all future scenarios indicate fast development of new ENPs, and increased production and applications of currently available ENPs, their unavoidable release to soil and groundwater is expected to grow. A complex interplay between soil solution, soil characteristics, and the ENP properties determines the leading retention mechanism(s) and the extent of the mobility of ENPs in porous media. In this chapter, we first introduce selected ENPs that are relatively common in soil and groundwater environments. We then offer an overview of the leading weathering scenarios of ENPs considering aggregation, chemical transformations, coating, and interactions with other components of the soil solution. We discuss the principal transport and retardation modes of ENPs. This part focuses on four retention mechanisms: physical straining, physicochemical interactions, film straining, and attachment to the air–water interface. Finally, we present cotransport of ENPs where relatively mobile ENPs can facilitate the mobility of potential pollutants that could amplify contaminant spreading.
Theory and computation of nuclear shielding
Authors: Kupka Teobald
Published: November 2022

The selected research papers on theoretical aspects of nuclear magnetic shielding published from 1 January to 31 December 2021 are shortly reviewed in this chapter. Among the reported studies are mainly density functional theory (DFT) predictions of nuclear shielding for free molecules, as well as in solution, modeled by the polarizable continuum model (PCM). The calculations for solids are getting more common in the reviewed period of time. Due to their relatively high computational price, the number of ab initio and high-level calculated nuclear shieldings is significantly lower. In several reports the theoretical results are additionally improved by inclusion of zero-point vibration and temperature correction (ZPVC and TC), As before, most calculations have been performed using the non-relativistic approach.
NMR of soft matter systems
Authors: Wallace Matthew
Published: November 2022

This chapter summarises recent advances and applications of solid-state, solution-state and gel-state NMR techniques to study soft matter systems. Original research articles published between March 2021 and March 2022 are discussed, covering gels, liquid crystals, micellar systems and polymers. Each section of the review focuses on a different NMR technique. The techniques discussed include 1D and 2D solution-state experiments, 2H NMR, nuclear Overhauser effect (NOE) measurements, diffusion NMR, relaxation measurements and experiments on quadrupolar counterions.
Hyperpolarized 29Si magnetic resonance spectroscopy of selectively radical-embedded silica nanoparticles
Authors: Luu Quy Son , Nguyen Quynh Thi , Kim Jiwon , Kim Jeunghwan , Do Uyen Thi , Whiting Nicholas , Shim Jeong Hyun , Min Sun-Joon , Lee Youngbok
Published: November 2022

Homogeneously radical-grafted SiO2 NPs were effectively self-polarized and represented enhanced 29Si signal amplification via DNP.
Iron/photoredox dual catalysis for acyl nitrene-based C–O bond formation towards phthalides
Authors: Zhang Zhide , Deng Yangling , Hou Ming , Lai Xiaojing , Guan Meng , Zhang Fengzhi , Qi Rui , Qiu Guanyinsheng
Published: November 2022

In this work, iron/photoredox dual-catalyzed acyl nitrene formation and the use of acyl nitrene in constructing various C–O bonds are reported for the synthesis of phthalides.
Palladium-catalyzed interannular C–H amination of biaryl amines
Authors: Wu Jiaping , Sun Pengpeng , Hong Yuwen , Yang Haitao , Xie Meihua , Zhang Jitan
Published: November 2022

A palladium-catalyzed interannular C–H amination of biaryl amines with O-benzoylhydroxylamines is reported, thus affording structurally diverse 2,2′-diaminobiaryls.
Exploring maleimide-anchored halloysites as nanophotoinitiators for surface-initiated photografting strategies
Authors: Lu Yelong , Zhao Hongchi , Huang Xinrong , Hu Di , Wu Yonggang , Ba Xinwu , Zhang Hailei
Published: November 2022

A spatially controllable, metal-free and non-contact photoinitiated approach was developed based on maleimide-functionalized HNTs, which can be further used in a 3D printing system to fabricate hydrogels with spatial configurations.
Peak-differentiation-imitating-assisted SERS strategy for the accurate detection of estrogens at the femtomole level
Authors: Wang Xinyu , Song Mengxiang , Wang Yuhong , Deng Wei , Li Dan
Published: November 2022

A novel peak-differentiation-imitating-assisted surface-enhanced Raman scattering strategy was developed to discriminate phenolic estrogens with high accuracy and an exceptionally strong size-sieving ability.
Prebiotic triose glycolysis promoted by co-catalytic proline and phosphate in neutral water
Authors: Magalhães Álvaro F. , Powner Matthew W.
Published: November 2022

Co-catalytic proline and phosphate accelerate prebiotic aldol chemistry, setting the stage for a transition to enzymatic metabolism and highlighting the importance of general acid-based catalysis.
Expedient delivery of quinolinone drugs via a traceless N-nitroso enabled oxidative Heck/amidation cascade
Authors: Li Zhongyuan , Chen Xiaojian , Zhong Hulin , Lin Yitong , Gao Yang , Liu Yuan , Chen Qian , Huo Yanping , Li Xianwei
Published: November 2022

The exploration of green C–H oxidation for the rapid construction of functional molecules, remains a permanent goal in synthetic chemistry.
A dynamic reversible phenylboronic acid sensor for real-time determination of protein–carbohydrate interactions on living cancer cells
Authors: Song Quanquan , Li Qian , Chao Shuang , Chen Xian , Li Ronghui , Lu Yuchao , Aastrup Teodor , Pei Zhichao
Published: November 2022

A dynamic reversible phenylboronic acid sensor for real-time determination of protein–carbohydrate interactions on living cancer cells.
Heterometallic organic framework: a highly selective functional probe for carmine and TNP molecules
Authors: Wu Nan , Li Zhang , Jia Yuejiao , Li Dechao , Hu Ming
Published: November 2022

Heterometallic organic framework: a highly selective functional probe for carmine and TNP molecules.
Benchmarking acetylthiophene derivatives: methyl internal rotations in the microwave spectrum of 2-acetyl-5-methylthiophene
Authors: Dindić Christina , Nguyen Ha Vinh Lam
Published: November 2022

The time required for recording survey scans of the microwave spectrum of the title molecule with two inequivalent methyl internal rotors was significantly reduced with the help of adequate spectral analysis skill and quantum chemical benchmarking.
Elucidating the cation hydration ratio in water-in-salt electrolytes for carbon-based supercapacitors
Authors: Xiao Dewei , Tang Xueqing , Zhang Li , Xu Zhenming , Liu Qingsheng , Dou Hui , Zhang Xiaogang
Published: November 2022

The differences in structure and performance of water-in-salt electrolytes with different cation hydration ratios were revealed, showing the influence of the cation hydration ratio of electrolyte on the performance of supercapacitors.
Controlling thermal expansion and phase transitions in Ca1−xSrxMnO3−δ by Sr-content
Authors: Klaas Lena , Pein Mathias , Mechnich Peter , Francke Alexander , Giasafaki Dimitra , Kriechbaumer Dorottya , Agrafiotis Christos , Roeb Martin , Sattler Christian
Published: November 2022

Through careful choice of Sr-content in the Ca1−xSrxMnO3−δ perovskite, crystal structure and thermal expansion behavior in dependence of temperature and pO2 can be tuned to benefit the materials potential for green energy conversion processes.
Examining the gas-phase homodimers of 3,3,3-trifluoro-1,2-epoxypropane using quantum chemistry and microwave spectroscopy
Authors: Marshall Mark D. , Leung Helen O. , Domingos Sérgio R. , Krin Anna , Schnell Melanie , Seifert Nathan A. , Xu Yunjie , Jäger Wolfgang
Published: November 2022

Quantum chemistry and rotational spectroscopy work hand-in-hand in the characterization of a potential chiral tag.
Mechanistic views and computational studies on transition-metal-catalyzed reductive coupling reactions
Authors: Duan Abing , Xiao Fengjiao , Lan Yu , Niu Linbin
Published: November 2022

Theoretical studies on transition-metal-catalyzed reductive coupling reactions have been summarized and discussed.
Regulation of ZO-1 on β-catenin mediates sulforaphane suppressed colorectal cancer stem cell properties in colorectal cancer
Authors: Chen Yue , Tang LvYuwei , Ye Xinrong , Chen Yimeng , Shan Enfang , Han Hongyu , Zhong Caiyun
Published: November 2022

ZO-1 suppresses colorectal CSCs by interacting with β-Catenin and attenuating its nuclear translocation.
AIEE-active V-shaped fused-biscoumarins: synthesis, photophysical and electroluminescence properties
Authors: Li Debao , Li Peiying , Zhao Yuling , Su Ruige , Guo Yongchun , Su Wenming , Yu Tianzhi
Published: November 2022

Three AIEE-active V-shaped fused-biscoumarin derivatives were prepared and their potential for application in OLED was explored.
A facile approach to enhance the hydrogen evolution reaction of electrodeposited MoS2 in acidic solutions
Authors: Liang Tianyue , Jia Haowei , Zhou Yingze , Fan Jiajun , Xu Yeqing , Hu Yifan , Zhou Lu , Wang Caiyun , Chen Fandi , Guan Peiyuan , Li Mengyao , Wan Tao , Ferry Michael , Chu Dewei
Published: November 2022

Binder-free Ni modified-MoS2 electrocatalysts with superior hydrogen evolution reaction (HER) catalytic performance were fabricated by a facile electrodeposition method.
Microparticle manipulation in viscoelastic flows inside curvilinear microchannels: a thorough fundamental study with application to simultaneous particle sorting and washing
Authors: Nikdoost Arsalan , Rezai Pouya
Published: November 2022

Thorough parametric studies on microparticles in curvilinear microchannels with viscoelastic flows, and first-time demonstration of simultaneous microparticle sorting and washing.
Colloidal synthesis of 1-D van der Waals material Nb2Se9: study of synergism of coordinating agent in a co-solvent system
Authors: Kim Tae Yeong , Woo Chaeheon , Choi Kyung Hwan , Dong Xue , Jeon Jiho , Ahn Jungyoon , Zhang Xiaojie , Kang Jinsu , Oh Hyung-Suk , Yu Hak Ki , Choi Jae-Young
Published: November 2022

1D van der Waals Nb2Se9 synthesized according to a co-solvent system presented an onset potential of 0.84 V and Tafel slope of 69.4 mV s−1 as an ORR electrocatalyst.
Gas-phase grafting for the multifunctional surface modification of silicon quantum dots
Authors: Schwan Joseph , Wang Kefu , Tang Ming Lee , Mangolini Lorenzo
Published: November 2022

Gas-phase modification of silicon quantum dots enables a precise control of their surface functional groups, in turn enabling high photon upconversion efficiency.
NiFe-mixed metal porphyrin aerogels as oxygen evolution reaction catalysts in alkaline electrolysers
Authors: Moschkowitsch Wenjamin , Samanta Bipasa , Zion Noam , Honig Hilah C. , Cullen David A. , Caspary Toroker Maytal , Elbaz Lior
Published: November 2022

Aerogels are a very interesting group of materials owing to their unique physical and chemical properties, which among others, make them efficient oxygen evolution reaction catalysts.
Synthesis of remote fluoroalkenyl ketones by photo-induced ring-opening addition of cyclic alkoxy radicals to fluorinated alkenes
Authors: Du Donghua , Peng Han , He Ling , Bai Shunpeng , Li Zhenghua , Teng Huailong
Published: November 2022

A variety of remote fluoroalkenyl ketones were prepared by photo-induced ring-opening addition of cyclic alkoxy radicals to fluorinated alkenes.
Design of ester crosslinked rubber with high dynamic properties by increasing dynamic covalent bond density
Authors: Yang Li , Li Luji , Fu Lihua , Lin Baofeng , Wang Yueqiong , Xu Chuanhui
Published: November 2022

Improvement of the stress relaxation rate, healing efficiency and recovery ratio was achieved using diglycidyl succinate as a crosslinker in transesterification-based rubber vitrimers.
Synthesis of helically π-stacked poly(quinolylene-2,3-methylene)s with anthracene derivatives at the chain end: intramolecular energy transfer based on the π-stacked architecture
Authors: Kanbayashi Naoya , Nishio Miho , Okamura Taka-aki , Onitsuka Kiyotaka
Published: November 2022

Synthesis of π-stacked poly(quinolylene-2,3-methylene)s with anthracene derivatives at the α-chain-end, exhibiting intramolecular-energy-transfer to the terminal anthracenyl group.
Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes
Authors: Duan Zhuan , Young Claire M. , Zhu Jiayun , Slawin Alexandra M. Z. , O'Donoghue AnnMarie C. , Smith Andrew D.
Published: November 2022

The combined effect of the heteroatom and an additional substituent both ortho to the aldehydic position in heteroaromatic aldehydes result in exceptionally large enhancements in equilibrium constants for tetrahedral adduct formation on NHC addition.
Speech-Language Pathologists' Use of Myofunctional Devices in Therapy Programs
Authors: Shortland Hollie-Ann Lee , Webb Gwendalyn , Vertigan Anne E. , Hewat Sally
Published: November 2022

Purpose:

This study aimed to explore the use of myofunctional devices (MDs) by speech-language pathologists (SLPs) to gain a better understanding of how SLPs are utilizing these in the treatment of their patients.

Method:

Eleven SLPs from four countries participated in semistructured interviews. The interview transcripts were analyzed using qualitative content analysis. Participants' responses were coded and categorized to identify key themes related to the use of MDs in therapy.

Results:

Five key themes, composed of 11 main categories and 54 subcategories, were identified. Themes highlighted variability in the use of MDs, including the type of device, application of the device, and dosage. Successful outcomes with the use of MDs were influenced by clinical experience and training, a multidisciplinary approach, along with client/family adherence to therapy. Participants frequently described the use of MDs as one component of an overall therapy program and reported on the need for further research to guide the use of MDs in speech-language pathology treatment.

Conclusions:

The use of MDs in speech-language pathology practice is often related to the expertise and experience of the SLP. Although SLPs report positive clinical outcomes, there remains a need for further research to support the use of MDs in therapy.
Disturbance rejection for biped robots during walking and running using control moment gyroscopes
Authors: Xu Haochen , Yu Zhangguo , Chen Xuechao , Dong Chencheng , Chen Huanzhong , Huang Qiang
Published: November 2022

Keeping balance in movement is an important premise for biped robots to complete various tasks. Now, the balance control of biped robots mainly depends on the cooperation of various joints of the robot's body. When robots move faster, the adjustment allowance of joints is reduced, and the robot's anti‐disturbance ability will inevitably decline. To solve this problem, the control moment gyroscope (CMG) is creatively used as an auxiliary stabilisation device for fully actuated biped robots and the CMG assistance strategy, which can be integrated into the biped's balance control framework, is proposed. This strategy includes model predictive control module, distribution module, and CMG precession controller. Under the command of it, CMGs can effectively assist the robot in resisting impact and returning to initial positions in time. The results of anti‐impact simulation on the walking and running biped robot prove that, with the help of CMGs, the robot's ability to resist disturbance and remain stable is significantly improved.

The cover image is based on the Original Article Disturbance rejection for biped robots during walking and running using control moment gyroscopes by Haochen Xu et al., https://doi.org/10.1049/csy2.12070.
Solution of the emergency control of synchronous generator modes based on the local measurements to ensure the dynamic stability
Authors: Senyuk Mihail , Beryozkina Svetlana , Ahyoev Javod , Zicmane Inga , Safaraliev Murodbek
Published: November 2022

Stochastic renewable sources of energy have been causing changes in the structure and operation of power systems. High penetration of this type of generation results in decreased inertia of a power system, increased active power fluctuations, and a higher probability of false tripping of emergency control devices. Traditional algorithms of emergency control are not adaptable and flexible enough for systems with high penetration of renewables and flexible alternating current transmission systems. Integration and development of phasor measurement units make it possible to create adaptable emergency control systems, which would require minimal pre‐defined data. The purpose of this study is to develop an adaptable algorithm for turbine fast valving control synthesis and transient stability estimation for a generator. The suggested algorithm is based on the equal area criterion in the domain synchronous generator “torque–load angle”. The measurements of the generator operation under consideration are used as the input data for the steam turbine fast valving control synthesis. Thus, the algorithm becomes adaptable because no pre‐defined parameters of a power system model are required. The suggested algorithm was tested on the power system model NE39bus using Matlab/Simulink. The efficiency of the suggested algorithm is verified and demonstrated.
Mass assembly and active galactic nucleus activity at z ≳ 1.5 in the dense environment of XDCP J0044.0–2033
Authors: Lepore M. , Bongiorno A. , Tozzi P. , Travascio A. , Zappacosta L. , Merlin E. , Fassbender R.
Published: November 2022

Context. XDCP J0044.0−2033 is the most massive galaxy cluster known at z > 1.5 and its core shows a high density of galaxies, which are experiencing mergers and hosting nuclear activity.

Aims. We present a multi-wavelength study of a region of 24 kpc × 24 kpc located ∼157 kpc from the center of the cluster, for which we have photometric and spectroscopic observations. Our main goal is to investigate the environmental effects acting on the galaxies inhabiting this high-density region.

Methods. We performed source identification and a photometric analysis on high-resolution Hubble Space Telescope (HST) images in the F105W, F140W, and F160W bands and a spectroscopic analysis of the near-infrared (NIR) KMOS data in H and YJ bands. In addition, we analyzed the deep Chandra ACIS-S X-ray exposure.

Results. We find that the analyzed region hosts at least nine different sources –six of them confirmed to be cluster members within a narrow redshift range 1.5728 < z < 1.5762– and is therefore denser than the very central, more massive region of the cluster previously analyzed. These sources form two different complexes (Complex M and Complex N) at a projected distance of ∼13 kpc, which are undergoing merging on an estimated timescale of 10−30 Myr. One of the sources shows the presence of a broad Hα emission line and is classified as a Type-1 active galactic nucleus (AGN). This AGN is associated to an X-ray point-like source whose emission appears moderately obscured (with intrinsic absorption NH ∼ 1022 cm−2) and hosts a relatively massive black hole (BH) with a mass of MBH ∼ 107 M⊙, which is accreting with an Eddington ratio of ∼0.2.

Conclusions. We conclude that the region analyzed here is consistent with being the formation site of a secondary brightest cluster galaxy (BCG). These findings, together with an in-depth analysis of the X-ray morphology of the cluster, suggest a merging scenario for the entire cluster, with two massive halos both harboring two rapidly evolving BCGs on the verge of being assembled. Our results are also consistent with the scenario in which the AGN phase in member galaxies is triggered by gas-rich mergers and plays a relevant role in the formation of the red sequence of elliptical galaxies observed in the center of local galaxy clusters.