bluuebunny/crossref_metadata_2025 huggingface dataset:
The Effects of Surface Mixers on Stratification, Dissolved Oxygen, and Cyanobacteria in a Shallow Eutrophic Reservoir
Authors: Slavin E. I. , Wain D. J. , Bryant L. D. , Amani M. , Perkins R. G. , Blenkinsopp C. , Simoncelli S. , Hurley S.
Published: June 2022

Top‐down surface mixers are increasingly used in drinking water reservoirs to prevent the development of stratification, control cyanobacteria, and limit sediment release of soluble manganese. A targeted field investigation enabled the discrimination of artificial mixing by surface mixers from wind and convection in a shallow (6.6 m), eutrophic drinking water reservoir. Top‐down surface mixers were effective at reducing vertical temperature and dissolved oxygen gradients over a 20 m radius, within which turbulent kinetic energy (TKE) input from the mixers exceeded the maximum TKE contribution from wind and convection. Meteorological conditions appeared to have a stronger influence beyond a 60 m radius from the mixers. Near‐bed velocities measured using an Acoustic Doppler Velocimeter (ADV) ∼ 30 m north of the mixers were significantly lower when the mixers were not operating; when operating, ADV signal amplitude showed localized sediment resuspension. Cyanobacteria cell counts were high throughout the reservoir but counts of low‐light adapted Planktothrix sp. were highest near the mixers, indicating mixer operation may improve growing conditions for Planktothrix. While the destratification goal of mixers was accomplished locally, the limited range of influence left >90% of the reservoir subject to diurnal stratification, anoxia, and potential internal loading of inorganic nutrients and soluble metals, restricting mixer effectiveness as an in‐reservoir management technique to improve raw water quality in shallow systems.
Predominant Type of Dust Storms That Influences Air Quality Over Northern China and Future Projections
Authors: Li Jiandong , Hao Xin , Liao Hong , Yue Xu , Li Hua , Long Xin , Li Nan
Published: June 2022

Dust storms (DSs) originating in East Asia impact ecosystems, climate, and public health in China. Although DS frequencies have declined since the 1950s, extreme DSs in spring 2021 had major effects on air quality over northern China. Based on daily DS records in spring during 1979–2021 and K‐means clustering, we define two DS types (T1 and T2) in northern China, accounting for 18.7% and 81.3% of DSs, respectively. T1 DSs, originating mainly in the Gobi Desert, predominantly influence air quality in northern China, while T2 DSs mainly influence northwestern China near the Taklimakan Desert. T1 and T2 DSs are driven by major synoptic systems including the Mongolian cyclone and cold fronts, respectively. Based on predictions of the Climate Models Intercomparison Project Phase Six, we demonstrate that the spring DS frequency would decrease during 2020–2100 under the shared socioeconomic pathway (SSP) 585 scenario but would fluctuate with decadal variability under the SSP126 scenario. Our results indicate that spring DSs can be triggered by a range of mechanisms, with distinct impacts on air quality.
Small Catchments Sustain Silicon Signatures Following Storms
Authors: Lee Jack
Published: June 2022

Watersheds have unique patterns of silicon export due to differences in subsurface water routing and biogeochemical reactions.
CitcomSVE: A Three‐Dimensional Finite Element Software Package for Modeling Planetary Mantle’s Viscoelastic Deformation in Response to Surface and Tidal Loads
Authors: Zhong Shijie , Kang Kaixuan , A Geruo , Qin Chuan
Published: June 2022

This article presents a comprehensive benchmark study for the newly updated and publicly available finite element code CitcomSVE for modeling dynamic deformation of a viscoelastic and incompressible planetary mantle in response to surface and tidal loading. A complete description of CitcomSVE’s finite element formulation including calculations of the sea‐level change, polar wander, apparent center of mass motion, and removal of mantle net rotation is presented. The 3‐D displacements and displacement rates and the gravitational potential anomalies are solved with CitcomSVE for three benchmark problems using different spatial and temporal resolutions: (a) surface loading of single harmonics, (b) degree‐2 tidal loading, and (c) the ICE‐6G GIA model. The solutions are compared with semi‐analytical solutions for error analyses. The benchmark calculations demonstrate the accuracy and efficiency of CitcomSVE. For example, for a typical ICE‐6G GIA calculation with a 122‐ky glaciation‐deglaciation history, time increment of 100 years, and ∼50 km (or ∼0.5°) surface horizontal resolution, it takes ∼4.5 hr on 96 CPU cores to complete with about 1% and 5% errors for displacements and displacement rates, respectively. Error analyses shows that CitcomSVE achieves a second order accuracy, but the errors are insensitive to temporal resolution. CitcomSVE achieves the parallel computational efficiency >75% for using up to 6,144 CPU cores on a parallel supercomputer. With its accuracy, computational efficiency and its open‐source public availability, CitcomSVE provides a powerful tool for modeling viscoelastic deformation of a planetary mantle with 3‐D mantle viscous and elastic structures in response to surface and tidal loading problems.
Global Changes in Water Vapor 1979–2020
Authors: Allan Richard P. , Willett Kate M. , John Viju O. , Trent Tim
Published: June 2022

Global‐scale changes in water vapor and responses to surface temperature variability since 1979 are evaluated across a range of satellite and ground‐based observations, a reanalysis (ERA5) and coupled and atmosphere‐only CMIP6 climate model simulations. Global‐mean column integrated water vapor increased by 1%/decade during 1988–2014 in observations and atmosphere‐only simulations. However, coupled simulations overestimate water vapor trends and this is partly explained by past studies showing that internal climate variability suppressed observed warming in this period. Decreases in low‐altitude tropical water vapor in ERA5 and ground‐based observations before around 1993 are considered suspect based on inconsistency with simulations and increased column integrated water vapor in microwave satellite data since 1979. Atmospheric Infra‐red Sounder satellite data does not capture the increased tropospheric water vapor since 2002 shown by other satellite, reanalysis, and model products. However, global water vapor responses to interannual surface temperature variability are consistent across data sets with increases of ∼4%–5% near the surface and 10%–15% at 300 hPa for each 1°C increase in global surface temperature. Global water vapor responses are explained by thermodynamic amplification of upper tropospheric temperature changes and the Clausius Clapeyron temperature dependence of saturation vapor pressure that are dominated by the tropical ocean responses. Upper tropospheric moistening is larger in climate model simulations with greater upper tropospheric warming.
Congestus Mode Invigoration by Convective Aggregation in Simulations of Radiative‐Convective Equilibrium
Authors: Sokol Adam B. , Hartmann Dennis L.
Published: June 2022

This study examines how the congestus mode of tropical convection is expressed in numerical simulations of radiative‐convective equilibrium (RCE). We draw insights from the ensemble of cloud‐resolving models participating in the RCE Model Intercomparison Project (RCEMIP) and from a new ensemble of two‐dimensional RCE simulations. About half of the RCEMIP models produce a congestus circulation that is distinct from the deep and shallow modes. In both ensembles, the congestus circulation strengthens with large‐scale convective aggregation, and in the 2D ensemble this comes at the expense of the shallow circulation centered at the top of the boundary layer. Congestus invigoration occurs because aggregation dries out the upper troposphere, which allows moist congestus outflow to undergo strong radiative cooling. The cooling generates divergence that promotes continued congestus overturning (a positive feedback). This mechanism is fundamentally similar to the driving of shallow circulations by radiative cooling at the top of the surface boundary layer. Aggregation and congestus invigoration are also associated with enhanced static stability throughout the troposphere, but a modeling experiment shows that enhanced stability is not necessary for congestus invigoration; rather, invigoration itself contributes to the stability increase via its impact on the vertical profile of radiative cooling. Changes in entrainment cooling are also found to play an important role in stability enhancement, as has been suggested previously. When present, congestus circulations have a large impact on the mean RCE atmospheric state; for this reason, their inconsistent representation in models and their impact on the real tropical atmosphere warrant further scrutiny.
Hemodynamic consequences of respiratory interventions in preterm infants
Authors: Sehgal Arvind , Ruoss J. Lauren , Stanford Amy H. , Lakshminrusimha Satyan , McNamara Patrick J.
Published: June 2022

Advances in perinatal management have led to improvements in survival rates for premature infants. It is known that the transitional period soon after birth, and the subsequent weeks, remain periods of rapid circulatory changes. Preterm infants, especially those born at the limits of viability, are susceptible to hemodynamic effects of routine respiratory care practices. In particular, the immature myocardium and cardiovascular system is developmentally vulnerable. Standard of care (but essential) respiratory interventions, administered as part of neonatal care, may negatively impact heart function and/or pulmonary or systemic hemodynamics. The available evidence regarding the hemodynamic impact of these respiratory practices is not well elucidated. Enhanced diagnostic precision and therapeutic judiciousness are warranted. In this narrative, we outline (1) the vulnerability of preterm infants to hemodynamic disturbances (2) the hemodynamic effects of common respiratory practices; including positive pressure ventilation and surfactant therapy, and (3) identify tools to assess cardiopulmonary interactions and guide management.
The cellular composition and function of the bone marrow niche after allogeneic hematopoietic cell transplantation
Authors: Peci Flavia , Dekker Linde , Pagliaro Anna , van Boxtel Ruben , Nierkens Stefan , Belderbos Mirjam
Published: June 2022

Allogeneic hematopoietic cell transplantation (HCT) is a potentially curative therapy for patients with a variety of malignant and non-malignant diseases. Despite its life-saving potential, HCT is associated with significant morbidity and mortality. Reciprocal interactions between hematopoietic stem cells (HSCs) and their surrounding bone marrow (BM) niche regulate HSC function during homeostatic hematopoiesis as well as regeneration. However, current pre-HCT conditioning regimens, which consist of high-dose chemotherapy and/or irradiation, cause substantial short- and long-term toxicity to the BM niche. This damage may negatively affect HSC function, impair hematopoietic regeneration after HCT and predispose to HCT-related morbidity and mortality. In this review, we summarize current knowledge on the cellular composition of the human BM niche after HCT. We describe how pre-HCT conditioning affects the cell types in the niche, including endothelial cells, mesenchymal stromal cells, osteoblasts, adipocytes, and neurons. Finally, we discuss therapeutic strategies to prevent or repair conditioning-induced niche damage, which may promote hematopoietic recovery and improve HCT outcome.
The current use of glaucoma virtual clinics in Europe
Authors: Azzopardi Matthew , Prokosch-Willing Verena , Michelessi Manuele , Fea Antonio Maria , Oddone Francesco , Mercieca Karl
Published: June 2022

Objectives

To assess and describe current utilisation, characteristics and perspectives on virtual glaucoma clinics (VGCs) amongst European glaucoma specialists.

Methods

Cross-sectional, anonymized, online questionnaire distributed to all European Glaucoma Society-registered specialists. Questions were stratified into five domains: Demographics, Questions about VGC use, Questions for non-VGC users, COVID-19 effects, and VGC advantages/disadvantages.

Results

30% of 169 participants currently use VGCs, with 53% based in the United Kingdom. Of those using VGCs, 85% reported higher patient acceptance compared to traditional care. The commonest virtual model was asynchronous remote monitoring (54%). Nurses (49%) and ophthalmic technicians (46%) were mostly responsible for data collection, with two-thirds using a mixture of professionals. Consultant ophthalmologists were the main decision-makers in 51% of VGCs. Preferred cohorts were: ocular hypertension (85%), glaucoma suspects (80%), early/moderate glaucoma in worse eye (68%), stable glaucoma irrespective of treatment (59%) and stable glaucoma on monotherapy (51%). Commonest investigations were: IOP (90%), BCVA (88%), visual field testing (85%) and OCT (78%), with 33 different combinations. Reasons for face-to-face referral included: visual field progression (80%), ‘above-target’ IOP (63%), and OCT progression (51%). Reasons for not using VGCs included: lack of experience (47%), adequate systems in place (42%), no appropriate staff (34%) and insufficient time/money (34%). 55% of non-VGC users are interested in their use with 38% currently considering future implementation. 83% stated VGC consultations have increased during the COVID-19 pandemic; 86% of all participants felt that the pandemic has highlighted the importance of VGCs.

Conclusions

A significant proportion of European glaucoma units are currently using VGCs, while others are considering implementation. Financial reimbursement and consensus guidelines are potentially crucial steps in VGC uptake.
Transition-metal-free synthesis of pyrimidines from lignin β-O-4 segments via a one-pot multi-component reaction
Authors: Zhang Bo , Guo Tenglong , Li Zhewei , Kühn Fritz E. , Lei Ming , Zhao Zongbao K. , Xiao Jianliang , Zhang Jian , Xu Dezhu , Zhang Tao , Li Changzhi
Published: June 2022

Heteroatom-participated lignin depolymerization for heterocyclic aromatic compounds production is of great importance to expanding the product portfolio and meeting value-added biorefinery demand, but it is also particularly challenging. In this work, the synthesis of pyrimidines from lignin β-O-4 model compounds, the most abundant segment in lignin, mediated by NaOH through a one-pot multi-component cascade reaction is reported. Mechanism study suggests that the transformation starts by NaOH-induced deprotonation of Cα-H bond in β-O-4 model compounds, and involves highly coupled sequential cleavage of C-O bonds, alcohol dehydrogenation, aldol condensation, and dehydrogenative aromatization. This strategy features transition-metal free catalysis, a sustainable universal approach, no need of external oxidant/reductant, and an efficient one-pot process, thus providing an unprecedented opportunity for N-containing aromatic heterocyclic compounds synthesis from biorenewable feedstock. With this protocol, an important marine alkaloid meridianin derivative can be synthesized, emphasizing the application feasibility in pharmaceutical synthesis.
Photoredox catalytic radical fluorosulfonylation of olefins enabled by a bench-stable redox-active fluorosulfonyl radical precursor
Authors: Wang Peng , Zhang Honghai , Nie Xingliang , Xu Tianxiao , Liao Saihu
Published: June 2022

Sulfonyl fluorides have attracted considerable and growing research interests from various disciplines, which raises a high demand for novel and effective methods to access this class of compounds. Radical flurosulfonylation is recently emerging as a promising approach for the synthesis of sulfonyl fluorides. However, the scope of applicable substrate and reaction types are severely restricted by limited known radical reagents. Here, we introduce a solid state, redox-active type of fluorosulfonyl radical reagents, 1-fluorosulfonyl 2-aryl benzoimidazolium triflate (FABI) salts, which enable the radical fluorosulfonylation of olefins under photoredox conditions. In comparison with the known radical precursor, gaseous FSO2Cl, FABI salts are bench-stable, easy to handle, affording high yields in the radical fluorosulfonylation of olefins with before challenging substrates. The advantage of FABIs is further demonstrated in the development of an alkoxyl-fluorosulfonyl difunctionalization reaction of olefins, which forges a facile access to useful β-alkoxyl sulfonyl fluorides and related compounds, and would thus benefit the related study in the context of chemical biology and drug discovery in the future.
Hodge theory-based biomolecular data analysis
Authors: Wei Ronald Koh Joon , Wee Junjie , Laurent Valerie Evangelin , Xia Kelin
Published: June 2022

Hodge theory reveals the deep intrinsic relations of differential forms and provides a bridge between differential geometry, algebraic topology, and functional analysis. Here we use Hodge Laplacian and Hodge decomposition models to analyze biomolecular structures. Different from traditional graph-based methods, biomolecular structures are represented as simplicial complexes, which can be viewed as a generalization of graph models to their higher-dimensional counterparts. Hodge Laplacian matrices at different dimensions can be generated from the simplicial complex. The spectral information of these matrices can be used to study intrinsic topological information of biomolecular structures. Essentially, the number (or multiplicity) of k-th dimensional zero eigenvalues is equivalent to the k-th Betti number, i.e., the number of k-th dimensional homology groups. The associated eigenvectors indicate the homological generators, i.e., circles or holes within the molecular-based simplicial complex. Furthermore, Hodge decomposition-based HodgeRank model is used to characterize the folding or compactness of the molecular structures, in particular, the topological associated domain (TAD) in high-throughput chromosome conformation capture (Hi-C) data. Mathematically, molecular structures are represented in simplicial complexes with certain edge flows. The HodgeRank-based average/total inconsistency (AI/TI) is used for the quantitative measurements of the folding or compactness of TADs. This is the first quantitative measurement for TAD regions, as far as we know.
Effects of short chain fructo-oligosaccharides on selected skin bacteria
Authors: Le Bourgot Cindy , Meunier Claire , Gaio Elisa , Murat Vincent , Micheletto Marta , Tedesco Erik , Benetti Federico
Published: June 2022

The human skin microbiota plays a key role in the maintenance of healthy skin, ensuring protection and biological barrier by competing with pathogens and by closely communicating with the immune system. The development of approaches which preserve or restore the skin microbiota represents a novel target for skincare applications. Prebiotics could be applied to balance almost any microbial community to achieve advantageous effects. However, information about their effectiveness as skin microbiota modulators is limited. The objective of the current study was to evaluate the effects of short chain fructo-oligosaccharides (scFOS) from sugar beet (DP 3–5), well-recognised prebiotics, on some representative bacterial strains of the skin microbiota. We measured the growth and competitive activity of these specific bacteria for the use of scFOS as energy source in minimal medium and in a reconstructed human epithelium (RHE) in vitro model. In minimal growth medium, scFOS promoted and sustained the growth of Staphylococcus epidermidis up to 24 h, considered a beneficial skin commensal bacterium, while inhibiting both Cutibacterium acnes and Staphylococcus aureus growth, regarded as opportunistic pathogens. S. epidermidis showed the highest colonization potential and 1% scFOS was effective in shifting the competition in favour of S. epidermidis with respect to C. acnes in the RHE model. This latter effect was observed following 24 h of exposure, suggesting a long-term effect of scFOS in a highly skin dynamic environment. Therefore, scFOS could be effectively implemented in skincare formulations for recovering skin microbiota homeostasis.
Magnetostructural coupling in RFeO3 (R = Nd, Tb, Eu and Gd)
Authors: Vilarinho R. , Weber M. C. , Guennou M. , Miranda A. C. , Dias C. , Tavares P. , Kreisel J. , Almeida A. , Moreira J. Agostinho
Published: June 2022

We investigate the interplay of magnetization and lattice vibrations in rare-earth orthoferrites RFeO3, with a specific focus on non-symmetry-breaking anomalies. To do so, we study the magnetization, magnon excitations and lattice dynamics as a function of temperature in NdFeO3, TbFeO3, EuFeO3 and GdFeO3. The magnetization shows distinct temperature anomalous behavior for all investigated rare-earth orthoferrites, even in the compounds with no phase transitions occurring at those temperatures. Through spin–phonon coupling, these magnetic changes are mirrored by the FeO6 rotation mode for all the studied RFeO3, revealing a common magnetostructural effect associated with the octahedra rotations. The R3+ oscillation modes evidence a Fe3+/R3+ spins cross-talk for the NdFeO3 and TbFeO3 cases. Our work sheds light into the common magnetostructural coupling in rare-earth orthoferrites, and the important role of magnetic anisotropy and spin–orbit coupling strength of the R–Fe interactions on the spin-reorientation transition at high temperatures.
The importance of routine quality control for reproducible pulmonary measurements by in vivo micro-CT
Authors: Mambrini Martina , Mecozzi Laura , Ferrini Erica , Leo Ludovica , Bernardi Davide , Grandi Andrea , Sverzellati Nicola , Ruffini Livia , Silva Mario , Stellari Franco Fabio
Published: June 2022

Micro-computed tomography (CT) imaging provides densitometric and functional assessment of lung diseases in animal models, playing a key role either in understanding disease progression or in drug discovery studies. The generation of reliable and reproducible experimental data is strictly dependent on a system’s stability. Quality controls (QC) are essential to monitor micro-CT performance but, although QC procedures are standardized and routinely employed in clinical practice, detailed guidelines for preclinical imaging are lacking. In this work, we propose a routine QC protocol for in vivo micro-CT, based on three commercial phantoms. To investigate the impact of a detected scanner drift on image post-processing, a retrospective analysis using twenty-two healthy mice was performed and lung density histograms used to compare the area under curve (AUC), the skewness and the kurtosis before and after the drift. As expected, statistically significant differences were found for all the selected parameters [AUC 532 ± 31 vs. 420 ± 38 (p < 0.001); skewness 2.3 ± 0.1 vs. 2.5 ± 0.1 (p < 0.001) and kurtosis 4.2 ± 0.3 vs. 5.1 ± 0.5 (p < 0.001)], confirming the importance of the designed QC procedure to obtain a reliable longitudinal quantification of disease progression and drug efficacy evaluation.
Mycobacterium avium subsp. paratuberculosis exploits miRNA expression to modulate lipid metabolism and macrophage polarisation pathways during infection
Authors: Wright Kathryn , Mizzi Rachel , Plain Karren M. , Purdie Auriol C. , de Silva Kumudika
Published: June 2022

Pathogenic mycobacteria including Mycobacterium avium subsp. paratuberculosis (MAP), the causative agent of Johne’s disease, manipulate host macrophages to persist and cause disease. In mycobacterial infection, highly plastic macrophages, shift between inflammatory M1 and permissive M2 phenotypes which alter the disease outcome and allow bacteria to survive intracellularly. Here we examine the impact of MAP infection on polarised macrophages and how increased lipid availability alters macrophage phenotype and bacterial persistence. Further, we assess if host microRNA (miRNA) are sensitive to macrophage polarisation state and how MAP can drive their expression to overcome innate responses. Using in vitro MAP infection, we find that increasing lipid availability through supplementing culture media with exogenous lipid increases cellular nitric oxide production. Lipid-associated miRs -19a, -129, -24, and -24-3p are differentially expressed following macrophage polarisation and lipid supplementation and are further regulated during MAP infection. Collectively, our results highlight the importance of host lipid metabolism in MAP infection and demonstrate control of miRNA expression by MAP to favour intracellular persistence.
Meat quality in broiler chickens fed on cowpea (Vigna unguiculata [L.] Walp) seeds
Authors: Ciurescu Georgeta , Idriceanu Lavinia , Gheorghe Anca , Ropotă Mariana , Drăghici Reta
Published: June 2022

The study aimed to evaluate the effects of a diet containing untreated cowpea (CWP; Aura 26 variety) seeds as a protein source on quality parameters of chickens’ breast (PM;Pectoralis major) and thigh muscles (BF;Biceps femoris). A total of 240 Ross 308 broiler chickens were randomly allotted to two groups: a control group fed with soybean meal (SBM) and an experimental group fed with CWP included at 200 g/kg as a replacement of SBM. Each group consisted of six pens as replicates, with 20 chicks per pen. At 6 weeks of age, twelve birds/group were slaughtered. Compared to SBM group, the group fed CWP had higher (P < 0.0001) lightness (L*) and redness (a*) values of PM and BF muscles, the latter had also higher yellowness (b*, P < 0.0001). The collagen and protein contents were significantly higher in CWP group in both PM and BF muscles, while fat was lower (P < 0.001) only in BF muscle. The use of CWP into broilers’ diets did not negatively impact the textural properties, i.e., hardness, adhesiveness, cohesiveness, springiness, gumminess, chewiness, and resilience of PM and BF, showing similar values in both groups. Also, PM and BF muscles of birds fed CWP had significantly higher (P < 0.05) levels of C:18:3n-3 and C:20:5n-3 compared with birds fed SBM. The n-6/n-3 PUFA ratio was significantly lower in CWP group (11.72 and 7.00) compared to SBM (13.47 and 12.63) for both PM and BF muscles. These results indicate that CWP can be considered a promising protein source for broiler chickens’ feed.
Blood gas levels, cardiovascular strain and cognitive performance during surgical mask and filtering face piece application
Authors: Grimm Katharina , Niederer Daniel , Nienhaus Albert , Groneberg David A. , Engeroff Tobias
Published: June 2022

Mask induced airway resistance and carbon dioxide rebreathing is discussed to impact gas exchange and to induce discomfort and impairments in cognitive performance. N = 23 healthy humans (13 females, 10 males; 23.5 ± 2.1 years) participated in this randomized crossover trial (3 arms, 48-h washout periods). During interventions participants wore either a surgical face mask (SM), a filtering face piece (FFP2) or no mask (NM). Interventions included a 20-min siting period and 20 min steady state cycling on an ergometer at 77% of the maximal heart rate (HR). Hemodynamic data (HR, blood pressure), metabolic outcomes (pulse derived oxygen saturation, capillary carbon dioxide (pCO2), and oxygen partial pressure (pO2), lactate, pH, base excess), subjective response (ability to concentrate, arousal, perceived exertion) and cognitive performance (Stroop Test) were assessed. Compared to NM, both masks increased pCO2 (NM 31.9 ± 3.3 mmHg, SM = 35.2 ± 4.0 mmHg, FFP2 = 34.5 ± 3.8 mmHg, F = 12.670, p < 0.001) and decreased pH (NM = 7.42 ± 0.03, SM = 7.39 ± 0.03, FFP2 = 7.39 ± 0.04, F = 11.4, p < 0.001) during exercise. The FFP2 increased blood pressure during exercise (NM = 158 ± 15 mmHg, SM = 159 ± 16 mmHg, FFP2 = 162 ± 17 mmHg, F = 3.21, p = 0.050), the SM increased HR during sitting (NM = 70 ± 8 bpm, SM = 74 ± 8 bpm, FFP2 = 73 ± 8 bpm, F = 4.70, p = 0.014). No mask showed any comparative effect on other hemodynamic, metabolic, subjective, or cognitive outcomes. Mask wearing leads to slightly increased cardiovascular stress and elevated carbon dioxide levels during exercise but did not affect cognitive performance or wellbeing.
Disease relevance of rare VPS13B missense variants for neurodevelopmental Cohen syndrome
Authors: Zorn Malte , Kühnisch Jirko , Bachmann Sebastian , Seifert Wenke
Published: June 2022

Autosomal recessive Cohen syndrome is a neurodevelopmental disorder characterized by postnatal microcephaly, intellectual disability, and a typical facial gestalt. Genetic variants in VPS13B have been found to cause Cohen syndrome, but have also been linked to autism, retinal disease, primary immunodeficiency, and short stature. While it is well established that loss-of-function mutations of VPS13B cause Cohen syndrome, the relevance of missense variants for the pathomechanism remains unexplained. Here, we investigate their pathogenic effect through a systematic re-evaluation of clinical patient information, comprehensive in silico predictions, and in vitro testing of previously published missense variants. In vitro analysis of 10 subcloned VPS13B missense variants resulted in full-length proteins after transient overexpression. 6/10 VPS13B missense variants show reduced accumulation at the Golgi complex in the steady state. The overexpression of these 6/10 VPS13B missense variants did not rescue the Golgi fragmentation after the RNAi-mediated depletion of endogenous VPS13B. These results thus validate 6/10 missense variants as likely pathogenic according to the classification of the American College of Medical Genetics through the integration of clinical, genetic, in silico, and experimental data. In summary, we state that exact variant classification should be the first step towards elucidating the pathomechanisms of genetically inherited neuronal diseases.
A high-throughput HPLC method for simultaneous quantification of pyrethroid and pyriproxyfen in long-lasting insecticide-treated nets
Authors: Walker Kyle J. , Williams Christopher T. , Oladepo Folasade O. , Lucas John , Malone David , Paine Mark J. I. , Ismail Hanafy M.
Published: June 2022

Long-lasting insecticide-treated nets (LLINs) play a crucial role in preventing malaria transmission. LLINs should remain effective for at least three years, even after repeated washings. Currently, monitoring insecticides in LLINs is cumbersome, costly, and requires specialized equipment and hazardous solvents. Our aim was to develop a simple, high-throughput and low-resource method for measuring insecticides in LLINs. To extract insecticides, polyethylene-LLIN samples were heated at 85 °C for 45 min in a non-hazardous solvent mix containing dicyclohexylphthalate as an internal standard. The extraction solvent was reduced from 50 to 5 ml using a 0.2 g sample, 90% smaller than the recommended sample size. By optimizing HPLC chromatography, we simultaneously detected pyrethroid and pyriproxyfen insecticides with high sensitivity in LLIN's extract. The method can quantify levels ≥ 0.0015% permethrin, 0.00045% alpha-cypermethrin and 0.00025% pyriproxyfen (w/w) in polyethylene, allowing for insecticide tracking before and after the use of LLINs. This method can be used to assess LLINs with 1% pyriproxyfen (pyriproxyfen-LLIN) or 2% permethrin (Olyset® Net), 1% pyriproxyfen and 2% permethrin (Olyset® Duo), or 0.55% pyriproxyfen and 0.55% alpha-cypermethrin (Royal Gaurd®). One can run 120 samples (40 nets) simultaneously with high precision and accuracy, improving throughput and reducing labour, costs, and environmental impact.
Deep learning based analysis of microstructured materials for thermal radiation control
Authors: Sullivan Jonathan , Mirhashemi Arman , Lee Jaeho
Published: June 2022

Microstructured materials that can selectively control the optical properties are crucial for the development of thermal management systems in aerospace and space applications. However, due to the vast design space available for microstructures with varying material, wavelength, and temperature conditions relevant to thermal radiation, the microstructure design optimization becomes a very time-intensive process and with results for specific and limited conditions. Here, we develop a deep neural network to emulate the outputs of finite-difference time-domain simulations (FDTD). The network we show is the foundation of a machine learning based approach to microstructure design optimization for thermal radiation control. Our neural network differentiates materials using discrete inputs derived from the materials’ complex refractive index, enabling the model to build relationships between the microtexture’s geometry, wavelength, and material. Thus, material selection does not constrain our network and it is capable of accurately extrapolating optical properties for microstructures of materials not included in the training process. Our surrogate deep neural network can synthetically simulate over 1,000,000 distinct combinations of geometry, wavelength, temperature, and material in less than a minute, representing a speed increase of over 8 orders of magnitude compared to typical FDTD simulations. This speed enables us to perform sweeping thermal-optical optimizations rapidly to design advanced passive cooling or heating systems. The deep learning-based approach enables complex thermal and optical studies that would be impossible with conventional simulations and our network design can be used to effectively replace optical simulations for other microstructures.
Phonemes based detection of parkinson’s disease for telehealth applications
Authors: Pah Nemuel D. , Motin Mohammod A. , Kumar Dinesh K.
Published: June 2022

Dysarthria is an early symptom of Parkinson’s disease (PD) which has been proposed for detection and monitoring of the disease with potential for telehealth. However, with inherent differences between voices of different people, computerized analysis have not demonstrated high performance that is consistent for different datasets. The aim of this study was to improve the performance in detecting PD voices and test this with different datasets. This study has investigated the effectiveness of three groups of phoneme parameters, i.e. voice intensity variation, perturbation of glottal vibration, and apparent vocal tract length (VTL) for differentiating people with PD from healthy subjects using two public databases. The parameters were extracted from five sustained phonemes; /a/, /e/, /i/, /o/, and /u/, recorded from 50 PD patients and 50 healthy subjects of PC-GITA dataset. The features were statistically investigated, and then classified using Support Vector Machine (SVM). This was repeated on Viswanathan dataset with smartphone-based recordings of /a/, /o/, and /m/ of 24 PD and 22 age-matched healthy people. VTL parameters gave the highest difference between voices of people with PD and healthy subjects; classification accuracy with the five vowels of PC-GITA dataset was 84.3% while the accuracy for other features was between 54% and 69.2%. The accuracy for Viswanathan’s dataset was 96.0%. This study has demonstrated that VTL obtained from the recording of phonemes using smartphone can accurately identify people with PD. The analysis was fully computerized and automated, and this has the potential for telehealth diagnosis for PD.
Quantitative digital histopathology and machine learning to predict pathological complete response to chemotherapy in breast cancer patients using pre-treatment tumor biopsies
Authors: Saednia Khadijeh , Lagree Andrew , Alera Marie A. , Fleshner Lauren , Shiner Audrey , Law Ethan , Law Brianna , Dodington David W. , Lu Fang-I , Tran William T. , Sadeghi-Naini Ali
Published: June 2022

Complete pathological response (pCR) to neoadjuvant chemotherapy (NAC) is a prognostic factor for breast cancer (BC) patients and is correlated with improved survival. However, pCR rates are variable to standard NAC, depending on BC subtype. This study investigates quantitative digital histopathology coupled with machine learning (ML) to predict NAC response a priori. Clinicopathologic data and digitized slides of BC core needle biopsies were collected from 149 patients treated with NAC. The nuclei within the tumor regions were segmented on the histology images of biopsy samples using a weighted U-Net model. Five pathomic feature subsets were extracted from segmented digitized samples, including the morphological, intensity-based, texture, graph-based and wavelet features. Seven ML experiments were conducted with different feature sets to develop a prediction model of therapy response using a gradient boosting machine with decision trees. The models were trained and optimized using a five-fold cross validation on the training data and evaluated using an unseen independent test set. The prediction model developed with the best clinical features (tumor size, tumor grade, age, and ER, PR, HER2 status) demonstrated an area under the ROC curve (AUC) of 0.73. Various pathomic feature subsets resulted in models with AUCs in the range of 0.67 and 0.87, with the best results associated with the graph-based and wavelet features. The selected features among all subsets of the pathomic and clinicopathologic features included four wavelet and three graph-based features and no clinical features. The predictive model developed with these features outperformed the other models, with an AUC of 0.90, a sensitivity of 85% and a specificity of 82% on the independent test set. The results demonstrated the potential of quantitative digital histopathology features integrated with ML methods in predicting BC response to NAC. This study is a step forward towards precision oncology for BC patients to potentially guide future therapies.
Application of a water jet for cleaning grease and improving the surface adhesion properties of galvanized steel wire ropes
Authors: Miao Xiaojin , Zhang Chunlei , Wu Meiping , Ma Chenglong , Wang Quanlong
Published: June 2022

Traditional cleaning processes may be banned in the near future because of the hazards they pose to the environment. In this study, a water jet was used to clean grease residues from steel wires for the first time. The EDS and SEM results of the steel wire rope surfaces and supplementary water jet impact experiments on galvanized steel plates revealed that when the pressure was lower than 50 MPa and the traverse speed was higher than 600 mm/min, the water jet caused minimal damage to the coating. When the pressure was 5 MPa, the cleaning ratio was between 45 and 60%, and the level of cleaning increased with increasing pressure. Two proposed concepts of exposure ratio and nonexposed area were applied to quantitatively analyze the theoretical upper and lower limits for grease that could be cleaned from two typical structures. The results showed that the lower and upper cleaning limits for structure 7 × 3 were 38.1% and 83.3%, while the lower and upper limits for structure 1 × 3 + 5 × 7 were 35.5% and 59.2%, respectively. This result explains why the grease content of structure 7 × 3 was lower than that of structure 1 × 3 + 5 × 7 after cleaning. In addition, the adhesion test results showed that adhesion to the two kinds of steel wire ropes after cleaning was increased by 126% and 145.71%, respectively, which means that additional processes for improving adhesion could be omitted after using a water jet for cleaning. This is an advantage that traditional cleaning processes do not offer.
Evaluation of the clinical impact of bone marrow cultures in current medical practice
Authors: Sharvit Gal , Schwartz Daniel , Heering Gabriel , Shulman Alexander , Avigdor Abraham , Rahav Galia , Toren Amos , Nagler Arnon , Canaani Jonathan
Published: June 2022

The clinical yield and benefit of performing bone marrow cultures for various clinical indications has been challenged and their clinical necessity remains debatable. We sought to assess the clinical yield and benefit of performing routine bone marrow cultures and determine whether various clinical, laboratory, and imaging parameters were predictive of a diagnostic bone marrow culture. This was a single center retrospective analysis of all patients who underwent a bone marrow study comprising bone marrow cultures from January 1, 2012, through March 1, 2018. Baseline clinical data were extracted from the institution's electronic medical records system. The analyzed cohort consisted of 139 patients with a median age of 46 years (range 4 months to 85 years). The most common indication for a bone marrow study was workup of a fever of unknown origin (105 patients, 76%) while investigation for infection in immunocompromised patients accounted for 22 cases (16%) and suspected tuberculosis was the reason for acquisition of bone marrow cultures in 6 patients (4%). Only 3 patients had positive bone marrow cultures, yielding in 2 patients a diagnosis of Mycobacterium avium and in one patient a microbiologically unclassifiable fungal infection. A univariate analysis revealed that mean age, hemoglobin level, platelet count, c-reactive protein levels, gender, indication for bone marrow study, yield of blood cultures, and contribution of imaging studies and bone marrow pathology results were not significantly different between patients with diagnostic and non-diagnostic bone marrow cultures. Mean white blood cell count was found to be significantly lower in patients with diagnostic bone marrow cultures (2.4 × 103/µL versus 8.7 × 103/µL; P = 0.038). We conclude that for most patients, performance of bone marrow cultures holds limited clinical value.
Reduced arterial elasticity after anabolic–androgenic steroid use in young adult males and mice
Authors: Melsom H. S. , Heiestad C. M. , Eftestøl E. , Torp M. K. , Gundersen K. , Bjørnebekk A. K. , Thorsby P. M. , Stensløkken K. O. , Hisdal J.
Published: June 2022

High-doses of anabolic–androgenic steroids (AAS) is efficient for building muscle mass, but pose a risk of cardiovascular side effects. Little is known of the effect of AAS on vasculature, but previous findings suggest unfavorable alterations in vessel walls and vasoreactivity. Here, long-term effect of AAS on vascular function and morphology were examined in male weightlifters, and in a mimicking animal model. Arterial elasticity and morphology were tested with ultrasound, pulse wave velocity (PWV) and carotid intima media thickness (cIMT) in 56 current male AAS users, and 67 non-exposed weightlifting controls (WLC). Female mice were treated with testosterone for 14 days and echocardiography were applied to evaluate vascular function and morphology. Male AAS users had higher PWV (p = 0.044), reduced carotid artery compliance (p = 0.0005), and increased cIMT (p = 0.041) compared to WLC. Similar functional changes were found in the ascending aorta of mice after 7- (p = 0.043) and 14 days (p = 0.001) of testosterone treatment. This animal model can be used to map molecular mechanisms responsible for complications related to AAS misuse. Considering the age-independent stiffening of major arteries and the predictive power of an increase in PWV and cIMT, the long-term users of AAS are at increased risk of severe cardiovascular events.
The ultimate Lewis acid catalyst: using tris(pentafluorophenyl) borane to create bespoke siloxane architectures
Authors: Gao Hetian , Battley Andrew , Leitao Erin M.
Published: June 2022

Boranes are effective catalysts for bespoke siloxane synthesis via (modified) Piers–Rubinsztajn reactions, enabling complex macromolecular architectures with novel functionality, through careful selection of reaction components and conditions.
Molecular hydrogen isotope separation by a graphdiyne membrane: a quantum-mechanical study
Authors: García-Arroyo Esther , Campos-Martínez José , Bartolomei Massimiliano , Pirani Fernando , Hernández Marta I.
Published: June 2022

Quantum effects enable the separation of heavier hydrogen isotopes in their transport through graphdiyne.
Isotope effects on the dynamics of amorphous ices and aqueous phosphoric acid solutions
Authors: Ahlmann S. , Hoffmann L. , Keppler M. , Münzner P. , Tonauer C. M. , Loerting T. , Gainaru C. , Böhmer R.
Published: June 2022

Isotope effects shed new light on the glass transition of amorphous ices and aqueous solutions.
Polycyclic aromatic hydrocarbon growth in a benzene discharge explored by IR-UV action spectroscopy
Authors: Lemmens Alexander K. , Rap Daniël B. , Brünken Sandra , Buma Wybren Jan , Rijs Anouk M.
Published: June 2022

IR-UV spectroscopy of a benzene discharge reveals larger PAHs and intermediates showing that different gas-phase PAH growth mechanisms can occur under the same conditions. The identifications are promising candidates for radio astronomy searches.
Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes
Authors: Ikeshita Masahiro , Suzuki Takato , Matsudaira Kana , Kitahara Maho , Imai Yoshitane , Tsuno Takashi
Published: June 2022

A series of novel multi-colour circularly polarized luminescent chiral Schiff-base boron difluoride complexes have been synthesized.
Antioxidant and copper-chelating power of new molecules suggested as multiple target agents against Alzheimer's disease. A theoretical comparative study
Authors: Spiegel Maciej , Marino Tiziana , Prejanò Mario , Russo Nino
Published: June 2022

In this study, the scavenging activity against OOH radicals and the copper-chelating ability of two new synthesized molecules (L1 and L2) that can act as multiple target agents against Alzheimer's disease have been investigated at the DFT level.
Infrared spectra and structures of protonated amantadine isomers: detection of ammonium and open-cage iminium ions
Authors: George Martin Andreas Robert , Dopfer Otto
Published: June 2022

The two isomers of the pharmaceutically active AmaH+ion identified by IR spectroscopy are the canonical ammonium isomer (I) formed by protonation at the NH2group and a protonated bicyclic iminium ion (II) formed by ionization of Ama followed by cage opening and H addition.
TiO2 supported cobalt oxide for olefin epoxidation reaction – characterization, catalytic activities and mechanism – using a DFT model
Authors: Mishra Subhashree , Sangma Simon Watre , Poddar Mukesh Kumar , Bal Rajaram , Singh G. P. , Dey Ratan Kumar
Published: June 2022

Conversion of olefin to epoxide: Surface acidic sites of the catalysts allow the electron rich olefin to get adsorb on the catalyst and facilitate the bond cleavage to form epoxides.
CSH/SBE-β-CD nanoparticles: controlled synthesis and application for loading and pH-responsive drug release
Authors: Yi Chunrong , Li Ying , Zhang Shuxin , Fan Hai , Cheng Ziqiang
Published: June 2022

CSH and SBE-β-CD were assembled via electrostatic interaction and hydrogen bonding for the loading and pH-responsive release of BSA.
Synthesis of 3C-alkylated active methylene substituted 2H-indazole derivatives via sequential ring opening of donor–acceptor cyclopropanes and reductive cyclization reaction
Authors: Sahu Archana Kumari , Biswas Subhamoy , Bora Surjya Kumar , Saikia Anil K.
Published: June 2022

A facile synthesis of 3C-alkylated active methylene substituted 2H-indazoles from o-nitrocyclopropanes and primary arylamines catalyzed by Ni(ClO4)2.6H2O/SnCl2.2H2O is reported.