bluuebunny/crossref_metadata_2025 huggingface dataset:
Cell painting transfer increases screening hit rate
Authors: Cohen Ethan , Corbe Maxime , Franco Cláudio A. , Vasconcelos Francisca F. , Perez Franck , Del Nery Elaine , Bollot Guillaume , Genovesio Auguste
Published: March 2023

Drug discovery uses high throughput screening to identify compounds that interact with a molecular target or that alter a phenotype favorably. The cautious selection of molecules used for such a screening is instrumental and is tightly related to the hit rate. In this work, we wondered if cell painting, a general-purpose image-based assay, could be used as an efficient proxy for compound selection, thus increasing the success rate of a specific assay. To this end, we considered cell painting images with 30,000 molecules treatments, and selected compounds that produced a visual effect close to the positive control of an assay, by using the Frechet Inception Distance. We then compared the hit rates of such a preselection with what was actually obtained in real screening campaigns. As a result, cell painting would have permitted a significant increase in the success rate and, even for one of the assays, would have allowed to reach 80% of the hits with 10 times fewer compounds to test. We conclude that images of a cell painting assay can be directly used for compound selection prior to screening, and we provide a simple quantitative approach in order to do so.
Multi-tactic strategies to manage herbicide-resistant waterhemp (Amaranthus tuberculatus) in corn–soybean rotations of the U.S. Midwest
Authors: Yadav Ramawatar , Jha Prashant , Hartzler Robert , Liebman Matt
Published: March 2023

Field experiments were conducted over 2 yr (2019 to 2020) at two locations in Iowa to evaluate multi-tactic strategies for managing multiple herbicide–resistant (MHR) waterhemp [Amaranthus tuberculatus (Moq.) Sauer] in a corn (Zea mays L.)–soybean [Glycine max (L.) Merr.] rotation. The effect of three herbicide programs on A. tuberculatus control was tested in corn (2019). The effects of the prior year’s corn weed control, a cereal rye (Secale cereale L.) cover crop, and soybean row spacing (38-cm vs. 76-cm wide) on A. tuberculatus density, biomass, and seed production were tested in soybean (2020). A herbicide program used in corn with two sites of action provided only 35% control of MHR A. tuberculatus compared with ≥97% control by a herbicide program with three sites of action. In soybean, adequate control of A. tuberculatus (≥90%) in the prior year’s corn crop and use of a cover crop or narrow rows reduced A. tuberculatus density by more than 60% at 3 and 9 wk after planting (WAP) compared with inadequate control (30%) in the prior year’s corn and no cover crop. Cover crop and narrow-row soybean reduced A. tuberculatus density by 44% at 3 WAP compared with no cover crop and wide-row soybean. Inclusion of a single control tactic, adequate control (≥90%) with multiple herbicides in the prior year’s corn, use of a cover crop, or narrow-row soybean reduced A. tuberculatus biomass and seed production at soybean harvest by at least 24% compared with inadequate control (30%) in the prior year’s corn, no cover crop, and wide-row soybean. The combination of all three control tactics reduced A. tuberculatus biomass and seed production at soybean harvest by at least 80%. In conclusion, diverse control tactics targeting A. tuberculatus at multiple life-cycle stages can make substantial contributions to the management of MHR populations.
Superstoichiometric Alloying of H and Close‐Packed Fe‐Ni Metal Under High Pressures: Implications for Hydrogen Storage in Planetary Core
Authors: Piet Hélène , Chizmeshya Andrew , Chen Bin , Chariton Stella , Greenberg Eran , Prakapenka Vitali , Buseck Peter , Shim Sang‐Heon
Published: March 2023

Although high pressure enables alloying between hydrogen and iron, hydrogen‐to‐iron molar ratio (H/Fe) so far found in experiments is mostly limited to 1 in the close‐packed iron metal under high pressure. We report a H/(Fe + Ni) ratio of 1.8 ± 0.1 from (Fe,Ni)Hx (or x ≥ 1.8) quenched from liquid, exceeding the amounts so far reported for densely packed Fe alloys. From the metastable behavior of the frozen (Fe,Ni)Hx liquid during decompression, we infer that the amount is a lower bound and therefore even a greater amount of H can be dissolved in the liquid part of Fe‐rich cores of planets. The significant H storage capacity of liquid Fe‐Ni alloy is important to consider for potential storage of H in the interiors of low‐density planets as well as rocky planets.
Solute Front Shear and Coalescence Control Concentration Gradient Dynamics in Porous Micromodel
Authors: Borgman Oshri , Turuban Régis , Géraud Baudouin , Le Borgne Tanguy , Méheust Yves
Published: March 2023

In subsurface environments, incomplete mixing at the pore scale limits reaction rates, rendering their prediction by Darcy‐scale models challenging. Such pore scale concentration gradients are enhanced by the deformation of solute fronts and decay under the action of molecular diffusion and solute filament merging. It is currently unclear how these processes govern concentration gradient dynamics under different flow rates. We measure experimentally pore scale concentrations in solute fronts transported in a two‐dimensional porous micromodel over an extensive range of flow rates. We demonstrate that pore‐scale shear flow increases concentration gradients up to a time predicted by the lamellar mixing theory in shear flow. However, the flow rate‐dependency of the mean concentration gradient at this so‐called mixing time is weaker than predicted theoretically, a discrepancy which we explain quantitatively by accounting for lamellae aggregation. These findings shed new light on the pore‐scale mechanisms driving mixing dynamics in porous media.
Strong Variability in the Thermal Structure of Tibetan Lithosphere
Authors: Xia B. , Artemieva I. M. , Thybo H. , Klemperer S. L.
Published: March 2023

We present a model of thermal lithospheric thickness (the depth where the geotherm reaches a temperature of 1300°C) and surface heat flow in Tibet and adjacent regions based on a new thermal‐isostasy method. The method accounts for crustal density heterogeneity, is free from any assumption of a steady‐state lithosphere thermal regime, and assumes that deviations from crustal Airy‐type isostasy are caused by lithosphere thermal heterogeneity. We observe a highly variable lithospheric thermal structure which we interpret as representing longitudinal variations in the northern extent of the subducting Indian plate, southward subduction of the Asian plate beneath central Tibet, and possible preservation of fragmented Tethyan paleo‐slabs. Cratonic‐type cold and thick lithosphere (200–240 km) with a predicted surface heat flow of 40–50 mW/m2 typifies the Tarim Craton, the northwest Yangtze Craton, and most of the Lhasa Block that is likely refrigerated by underthrusting Indian lithosphere. We identify a “North Tibet anomaly” with thin (<80 km) lithosphere and high surface heat flow (>80–100 mW/m2). We interpret this anomaly as the result of removal of lithospheric mantle and asthenospheric upwelling at the junction of the Indian and Asian slabs with opposite subduction polarities. Other parts of Tibet typically have intermediate lithosphere thickness of 120–160 km and a surface heat flow of 45–60 mW/m2, with patchy anomalies in eastern Tibet. While different uplift mechanisms for Tibet predict different lithospheric thermal regimes, our results in terms of a highly variable thermal structure beneath Tibet suggest that topographic uplift is caused by an interplay of several mechanisms.
Can Linear Stability Analyses Predict the Development of Riverbed Waves With Lengths Much Larger Than the Water Depth?
Authors: Barneveld H. J. , Mosselman E. , Chavarrías V. , Hoitink A. J. F.
Published: March 2023

Sustainable river management can be supported by models predicting long‐term morphological developments. Even for one‐dimensional morphological models, run times can be up to several days for simulations over multiple decades. Alternatively, analytical tools yield metrics that allow estimation of migration celerity and damping of bed waves, which have potential for being used as rapid assessment tools to explore future morphological developments. We evaluate the use of analytical relations based on linear stability analyses of the St. Venant‐Exner equations, which apply to bed waves with spatial scales much larger than the water depth. With a one‐dimensional numerical morphological model, we assess the validity range of the analytical approach. The comparison shows that the propagation of small bed perturbations is well‐described by the analytical approach. For Froude numbers over 0.3, diffusion becomes important and bed perturbation celerities reduce in time. A spatial‐mode linear stability analysis predicts an upper limit for the bed perturbation celerity. For longer and higher bed perturbations, the dimensions relative to the water depth and the backwater curve length determine whether the analytical approach yields realistic results. For higher bed wave amplitudes, non‐linearity becomes important. For Froude numbers ≤0.3, the celerity of bed waves is increasingly underestimated by the analytical approach. The degree of underestimation is proportional to the ratio of bed wave amplitude to water depth and the Froude number. For Froude numbers exceeding 0.3, the net impact on the celerity depends on the balance between the decrease due to damping and the increase due to non‐linear interaction.
NLRP3-dependent lipid droplet formation contributes to posthemorrhagic hydrocephalus by increasing the permeability of the blood–cerebrospinal fluid barrier in the choroid plexus
Authors: Zhang Zhaoqi , Guo Peiwen , Liang Liang , Jila Shiju , Ru Xufang , Zhang Qiang , Chen Jingyu , Chen Zhi , Feng Hua , Chen Yujie
Published: March 2023

Hydrocephalus is a severe complication that can result from intracerebral hemorrhage, especially if this hemorrhage extends into the ventricles. Our previous study indicated that the NLRP3 inflammasome mediates cerebrospinal fluid hypersecretion in the choroid plexus epithelium. However, the pathogenesis of posthemorrhagic hydrocephalus remains unclear, and therapeutic strategies for prevention and treatment are lacking. In this study, an Nlrp3−/−rat model of intracerebral hemorrhage with ventricular extension and primary choroid plexus epithelial cell culture were used to investigate the potential effects of NLRP3-dependent lipid droplet formation and its role in the pathogenesis of posthemorrhagic hydrocephalus. The data indicated that NLRP3-mediated dysfunction of the blood–cerebrospinal fluid barrier (B-CSFB) accelerated neurological deficits and hydrocephalus, at least in part, through the formation of lipid droplets in the choroid plexus; these lipid droplets interacted with mitochondria and increased the release of mitochondrial reactive oxygen species that destroyed tight junctions in the choroid plexus after intracerebral hemorrhage with ventricular extension. This study broadens the current understanding of the relationship among NLRP3, lipid droplets and the B-CSFB and provides a new therapeutic target for the treatment of posthemorrhagic hydrocephalus. Strategies to protect the B-CSFB may be effective therapeutic approaches for posthemorrhagic hydrocephalus.
Treatment-resistant depression and risk of autoimmune diseases: evidence from a population-based cohort and nested case-control study
Authors: Chan Vivien Kin Yi , Luo Hao , Chan Sandra Sau Man , Lau Chak Sing , Yeung Winnie Wan Yin , Peng Kuan , Tong Xinning , Lam May Pui San , Wong Ian Chi Kei , Li Xue
Published: March 2023

Recent literature indicates that patients with depression had increased immune activation. We hypothesised that treatment-resistant depression (TRD), an indicator of non-responsive depression with long-term dysregulated inflammation, could be an independent risk factor for subsequent autoimmune diseases. We performed a cohort study and a nested case-control study to examine the association between TRD and risk of autoimmune diseases, and to explore potential sex-specific difference. Using electronic medical records in Hong Kong, we identified 24,576 patients with incident depression between 2014 and 2016 without autoimmune history and followed up from diagnosis to death or December 2020 to identify TRD status and autoimmune incidence. TRD was defined as having at least two antidepressant regimens and the third regimen to confirm previous treatment failures. Based on age, sex and year of depression, we matched TRD patients 1:4 to the non-TRD in the cohort analysis using nearest-neighbour matching, and matched cases and controls 1:10 using incidence density sampling in the nested case-control analysis. We conducted survival analyses and conditional logistic regression respectively for risk estimation, adjusting for medical history. Across the study period, 4349 patients without autoimmune history (17.7%) developed TRD. With 71,163 person-years of follow-up, the cumulative incidence of 22 types of autoimmune diseases among the TRD patients was generally higher than the non-TRD (21.5 vs. 14.4 per 10,000 person-years). Cox model suggested a non-significant association (HR:1.48, 95% CI: 0.99–2.24, p = 0.059), whereas conditional logistic model showed a significant association (OR: 1.67, 95% CI: 1.10–2.53, p = 0.017) between TRD status and autoimmune diseases. Subgroup analysis showed that the association was significant in organ-specific diseases but not in systemic diseases. Risk magnitudes were generally higher among men compared to women. In conclusion, our findings provide evidence for an increased risk of autoimmune diseases in patients with TRD. Controlling chronic inflammation in hard-to-treat depression might play a role in preventing subsequent autoimmunity.
A survey of patient compliance with removable orthodontic retainer wear in Brunei Darussalam
Authors: Lim Meng Ern , Dhaliwal Jagjit Singh , Wahab Siti Waznah Hj Abd , Rahman Hanif Abdul
Published: March 2023

Objective

To explore compliance with removable orthodontic retainer wear among patients who had completed fixed appliance orthodontic treatments.

Materials and methods

A cross-sectional online survey was distributed to patients who had completed orthodontic treatment at the government orthodontic clinics. The response rate was 54.9%, 663 questionnaires were distributed and 364 responses were received. Demographic information was collected, and questions regarding types of retainers prescribed, instructed and actual wear times, satisfaction levels, and reasons for wearing and not wearing retainers. Chi Square, Fisher’s Exact tests and Independent T-Test were used to detect significant associations between variables.

Results

Respondents under 20 years old and employed were the most compliant. The mean satisfaction levels of Hawley Retainer and Vacuum-Formed Retainer were reported to be 3.7 (P = 0.565). About 28% of those in both groups stated that they wear them to maintain their teeth straight. 32.7% of Hawley retainer wearers reported not wearing their retainers due to speech difficulties.

Conclusion

Age and employment status were the variables that determined compliance. There was no significant difference in the satisfaction levels between the two retainer types. Most respondents wear their retainers to keep their teeth straight. Discomfort and forgetfulness were the primary reasons for not wearing retainers, besides speech difficulties.
Direct correlation between spin states and magnetic torques in a room-temperature van der Waals antiferromagnet
Authors: Shin Hyun Jun , Kim Jin Seok , Kim Jong Hyuk , Seo Jae Yeon , Hong Jae Min , Jeong Ki Won , Moon Kyungsun , Kim Mi Kyung , Lee Nara , Choi Young Jai
Published: March 2023

Explorations of van der Waals (vdW) antiferromagnets have revealed new avenues for understanding the fundamentals of highly anisotropic magnetism and realizing spin-based functional properties. However, there is a serious limitation to the feasibility of spintronic applications at room temperature owing to the lack of suitable materials. In this work, we examined the anisotropic magnetic characteristics of Co-doped Fe5GeTe2, a high-TN antiferromagnet with TN = 350 K in which magnetic multilayers are intrinsically formed. Our spin-model calculations with uniaxial anisotropy quantify the magnetocrystalline anisotropy energy and visualize the specific spin arrangements varying in the presence of rotating magnetic fields at room temperature. We further show that the spin configurations can be profoundly relevant to the distinctive evolution of magnetic torques in different magnetic phases. Our advanced approach offers a high-TN vdW antiferromagnet as a magnetic platform to establish room-temperature spin-processing functionalities.
Ex-situ generation and synthetic utilization of bare trifluoromethyl anion in flow via rapid biphasic mixing
Authors: Lee Hyune-Jea , Joo Jeong-Un , Yim Se-Jun , Kim Dong-Pyo , Kim Heejin
Published: March 2023

Fluoroform (CF3H) is the simplest reagent for nucleophilic trifluoromethylation intermediated by trifluoromethyl anion (CF3–). However, it has been well-known that CF3– should be generated in presence of a stabilizer or reaction partner (in-situ method) due to its short lifetime, which results in the fundamental limitation on its synthetic utilization. We herein report a bare CF3– can be ex-situ generated and directly used for the synthesis of diverse trifluoromethylated compounds in a devised flow dissolver for rapid biphasic mixing of gaseous CF3H and liquid reagents that was designed and structurally optimized by computational fluid dynamics (CFD). In flow, various substrates including multi-functional compounds were chemoselectively reacted with CF3–, extending to the multi-gram-scale synthesis of valuable compounds by 1-hour operation of the integrated flow system.
Histone H2A monoubiquitination marks are targeted to specific sites by cohesin subunits in Arabidopsis
Authors: Zhang Yu , Ma Min , Liu Meng , Sun Aiqing , Zheng Xiaoyun , Liu Kunpeng , Yin Chunmei , Li Chuanshun , Jiang Cizhong , Tu Xiaoyu , Fang Yuda
Published: March 2023

Histone H2A monoubiquitination (H2Aub1) functions as a conserved posttranslational modification in eukaryotes to maintain gene expression and guarantee cellular identity. Arabidopsis H2Aub1 is catalyzed by the core components AtRING1s and AtBMI1s of polycomb repressive complex 1 (PRC1). Because PRC1 components lack known DNA binding domains, it is unclear how H2Aub1 is established at specific genomic locations. Here, we show that the Arabidopsis cohesin subunits AtSYN4 and AtSCC3 interact with each other, and AtSCC3 binds to AtBMI1s. H2Aub1 levels are reduced in atsyn4 mutant or AtSCC3 artificial microRNA knockdown plants. ChIP-seq assays indicate that most binding events of AtSYN4 and AtSCC3 are associated with H2Aub1 along the genome where transcription is activated independently of H3K27me3. Finally, we show that AtSYN4 binds directly to the G-box motif and directs H2Aub1 to these sites. Our study thus reveals a mechanism for cohesin-mediated recruitment of AtBMI1s to specific genomic loci to mediate H2Aub1.
Towards the technological maturity of membrane distillation: the MD module performance curve
Authors: López-Porfiri Pablo , Ramos-Paredes Sebastián , Núñez Patricio , Gorgojo Patricia
Published: March 2023

Membrane distillation (MD) is constantly acknowledged in the research literature as a promising technology for the future of desalination, with an increasing number of studies reported year after year. However, real MD applications still lag behind with only a few pilot-plant tests worldwide. The lack of technology transfer from academia to industry is caused by important gaps between its fundamental basis and the process design. Herein, we explore critical disconnections by conducting coupled mass and heat transfer modeling and MD simulations; we use well-known MD mass and heat transfer equations to model and simulate flux over a typical MD membrane for different geometries, areas, and operational conditions in direct contact configuration. From the analysis of the results, we propose research guidelines and process development strategies, and construct an MD module performance curve. From this graph, permeate flow rate, thermal energy consumption and outlet temperatures can be determined for given feed inlet conditions (temperature and concentration). Comprehensive tools such as this MD module curve and good communication between membrane developers and process engineers are required to accelerate the process of bringing the MD technology from a still-emerging status to a maturity level.
Intense community dynamics in the pre-Roman frontier site of Fermo (ninth–fifth century BCE, Marche, central Italy) inferred from isotopic data
Authors: Esposito Carmen , Gigante Melania , Lugli Federico , Miranda Pasquale , Cavazzuti Claudio , Sperduti Alessandra , Pacciarelli Marco , Stoddart Simon , Reimer Paula , Malone Caroline , Bondioli Luca , Müller Wolfgang
Published: March 2023

The Early Iron Age in Italy (end of the tenth to the eighth century BCE) was characterized by profound changes which influenced the subsequent political and cultural scenario in the peninsula. At the end of this period people from the eastern Mediterranean (e.g. Phoenicians and Greek people) settled along the Italian, Sardinian and Sicilian coasts. Among local populations, the so-called Villanovan culture group—mainly located on the Tyrrhenian side of central Italy and in the southern Po plain—stood out since the beginning for the extent of their geographical expansion across the peninsula and their leading position in the interaction with diverse groups. The community of Fermo (ninth–fifth century BCE), related to the Villanovan groups but located in the Picene area (Marche), is a model example of these population dynamics. This study integrates archaeological, osteological, carbon (δ13C), nitrogen (δ15N) (n = 25 human) and strontium (87Sr/86Sr) isotope data (n = 54 human, n = 11 baseline samples) to explore human mobility through Fermo funerary contexts. The combination of these different sources enabled us to confirm the presence of non-local individuals and gain insight into community connectivity dynamics in Early Iron Age Italian frontier sites. This research contributes to one of the leading historical questions of Italian development in the first millennium BCE.
Synthesis and characterization of calcium and magnesium based oxides and titanates for photocatalytic degradation of rhodamine B: a comparative study
Authors: Vijayakumar Naveensubramaniam , Venkatraman Senthil Kumar , Imthiaz Syed , Drweesh Elsayed A. , Elnagar Mohamed M. , Koppala Sivasankar , Swamiappan Sasikumar
Published: March 2023

The current investigation deals with the simple and ecological synthesis of CaO, MgO, CaTiO3, and MgTiO3 for the photocatalytic dilapidation of rhodamine B dye. CaO was procured from chicken eggshell waste by calcination process, while MgO was produced by solution combustion method using urea as a fuel source. Furthermore, CaTiO3 and MgTiO3 were synthesized through an easy and simple solid-state method by mixing thoroughly the synthesized CaO or MgO with TiO2 before calcination at 900 °C. XRD and EDX investigations confirmed the phase formation of the materials. Moreover, FTIR spectra revealed the existence of Ca–Ti–O, Mg–Ti–O, and Ti–O which resembles the chemical composition of the proposed materials. SEM micrographs revealed that the surface of CaTiO3 is rougher with relatively dispersed particles compared to MgTiO3, reflecting a higher surface area of CaTiO3. Diffuse reflectance spectroscopy investigations indicated that the synthesized materials can act as photocatalysts under UV illumination. Accordingly, CaO and CaTiO3 effectively degraded rhodamine B dye within 120 min with a photodegradation activity of 63% and 72%, respectively. In contrast, the photocatalytic degradation activity of MgO and MgTiO3 was much lower, since only 21.39 and 29.44% of the dye were degraded, respectively after 120 min of irradiation. Furtheremore, the photocatalytic activity of the mixture from both Ca and Mg titanates was 64.63%. These findings might be valuable for designing potential and affordable photocatalysts for wastewater purification.
The endosperm microstructure, physical, thermal properties and specific milling energy of spelt (Triticum aestivum ssp. spelta) grain and flour
Authors: Warechowska Małgorzata , Anders Andrzej , Warechowski Józef , Bramowicz Mirosław , Markowska-Mendik Agnieszka , Rejmer Wojciech , Tyburski Józef , Kulesza Sławomir
Published: March 2023

Previous research has shown that the endosperm microstructure and physical properties of grain have significance in grain processing and in the development of processing machines. The aim of our study was to analyze the endosperm microstructure, physical, thermal properties, and specific milling energy of organic spelt (Triticum aestivum ssp. spelta) grain and flour. Image analysis combined with fractal analysis was used to describe the microstructural differences of the endosperm of spelt grain. The endosperm morphology of spelt kernels was monofractal, isotropic, and complex. A higher proportion of Type-A starch granules resulted in an increased proportion of voids and interphase boundaries in the endosperm. Changes in the fractal dimension were correlated with kernel hardness, specific milling energy, the particle size distribution of flour, and the starch damage rate. Spelt cultivars varied in size and shape of the kernels. Kernel hardness was a property that differentiated specific milling energy, particle size distribution of flour, and starch damage rate. Fractal analysis may be considered as a useful tool for evaluating milling processes in the future.
Living in human-modified landscapes narrows the dietary niche of a specialised mammalian scavenger
Authors: Lewis Anna C. , Hughes Channing , Rogers Tracey L.
Published: March 2023

Anthropogenic impacts on carnivores can be complex, posing numerous threats to many species, yet also benefits to those able to exploit certain resources. This balancing act is particularly precarious for those adapters that exploit dietary resources provided by humans, but still require other resources only available in native habitat. Here we measure the dietary niche of one such species, the Tasmanian devil (Sarcophilus harrisii), a specialised mammalian scavenger, across an anthropogenic habitat gradient stretching from cleared pasture to undisturbed rainforest. Populations inhabiting areas of greater disturbance showed restricted dietary niches, suggesting that all individuals fed on similar food items, even within regenerated native forest. Populations in undisturbed rainforest habitats had comparatively broad diets and showed evidence of niche partitioning by body size, which may reduce intraspecific competition. Despite the potential benefits of reliable access to high-quality food items in anthropogenically-modified habitats, the constrained niches we observed may be harmful, indicating altered behaviours and potentially increasing the rate of fights between individuals over food. This is of particular concern for a species at risk of extinction due to a deadly cancer primarily transmitted through aggressive interactions. The lack of diversity in devil diets within regenerated native forest compared to those in old-growth rainforest also indicates the conservation value of the latter for both the devil and the species which they consume.
Label-free photothermal optical coherence microscopy to locate desired regions of interest in multiphoton imaging of volumetric specimens
Authors: Ravichandran Naresh Kumar , Hur Hwan , Kim Hyemi , Hyun Sangwon , Bae Ji Yong , Kim Dong Uk , Kim I Jong , Nam Ki-Hwan , Chang Ki Soo , Lee Kye-Sung
Published: March 2023

Biochip-based research is currently evolving into a three-dimensional and large-scale basis similar to the in vivo microenvironment. For the long-term live and high-resolution imaging in these specimens, nonlinear microscopy capable of label-free and multiscale imaging is becoming increasingly important. Combination with non-destructive contrast imaging will be useful for effectively locating regions of interest (ROI) in large specimens and consequently minimizing photodamage. In this study, a label-free photothermal optical coherence microscopy (OCM) serves as a new approach to locate the desired ROI within biological samples which are under investigation by multiphoton microscopy (MPM). The weak photothermal perturbation in sample by the MPM laser with reduced power was detected at the endogenous photothermal particles within the ROI using the highly sensitive phase-differentiated photothermal (PD–PT) OCM. By monitoring the temporal change of the photothermal response signal of the PD–PT OCM, the hotspot generated within the sample focused by the MPM laser was located on the ROI. Combined with automated sample movement in the x–y axis, the focal plane of MPM could be effectively navigated to the desired portion of a volumetric sample for high-resolution targeted MPM imaging. We demonstrated the feasibility of the proposed method in second harmonic generation microscopy using two phantom samples and a biological sample, a fixed insect on microscope slide, with dimensions of 4 mm wide, 4 mm long, and 1 mm thick.
Effect of exercise training with laser phototherapy on homeostasis balance resistant to hypercoagulability in seniors with obesity: a randomized trial
Authors: Elsayed Marwa M. , Abdallah Ghada A. , Hassan Safaa S. , Nagy Ebtesam N.
Published: March 2023

The prevalence of obesity has increased the incidence of obesity-related coagulation disorders. The current study assessed the effectiveness of combined aerobic exercise and laser phototherapy on the coagulation profile and body measurements in older adults with obesity compared to aerobic exercise alone, which has not been adequately explored. We included 76 obese people (50% women and 50% men) with a mean age of 67.83 ± 4.84 years and a body mass index of 34.55 ± 2.67 kg/m2. The participants were randomly assigned to the experimental group (which received aerobic training with laser phototherapy) and the control group (which received aerobic training alone) for three months. From the baseline to the final analysis, the absolute changes in specific coagulation biomarker levels (fibrinogen, fibrin fragment D, prothrombin time, Kaolin-Cephalin Coagulation Time), and contributing parameters (C-reactive protein and total cholesterol), were assessed. In comparison to the control group, the experimental group showed significant improvements in all evaluated measures (p < 0.001). So, in comparison to aerobic exercise alone, combined aerobic exercise and laser phototherapy had superior positive effects on coagulation biomarkers and decreased the risk of thromboembolism throughout a three-month intervention period in senior obese persons. Therefore, we suggest adopting laser phototherapy for individuals with a greater risk of hypercoagulability.

The research was entered into the database of clinical trials under the identification NCT04503317.
Enhanced electrocatalytic activity of Pt-SnO2 nanoparticles supported on natural bentonite-functionalized reduced graphene oxide-extracted chitosan from shrimp wastes for methanol electro-oxidation
Authors: Aryafar Ahmad , Ekrami-Kakhki Mehri-Saddat , Naeimi Atena
Published: March 2023

In this work, tin (IV) oxide (SnO2) nanoparticles were synthesized based on Amaranthus spinosus plant. The produced graphene oxide by a modified Hummers’ method was functionalized with melamine (mRGO) and used accompanied by natural bentonite (Bnt) and extracted chitosan from shrimp wastes to prepare Bnt-mRGO-CH. This was utilized as novel support for anchoring Pt and SnO2 nanoparticles to prepare the novel Pt-SnO2/Bnt-mRGO-CH catalyst. The crystalline structure, morphology and uniform dispersion of nanoparticles in the prepared catalyst were determined by TEM images and XRD technique. The electrocatalytic performance of the Pt-SnO2/Bnt-mRGO-CH catalyst was evaluated for methanol electro-oxidation through electrochemical investigations including cyclic voltammetry, electrochemical impedance spectroscopy, and chronoamperometry techniques. Pt-SnO2/Bnt-mRGO-CH showed enhanced catalytic activity compared to Pt/Bnt-mRGO-CH and Pt/Bnt-CH catalysts considering its higher electrochemically active surface area, higher mass activity, and better stability for methanol oxidation. SnO2/Bnt-mRGO and Bnt-mRGO nanocomposites were also synthesized and did not show any significant activity for methanol oxidation. The results showed that Pt-SnO2/Bnt-mRGO-CH could be a promising catalyst as anode material in direct methanol fuel cells.
Deep-Manager: a versatile tool for optimal feature selection in live-cell imaging analysis
Authors: Mencattini A. , D’Orazio M. , Casti P. , Comes M. C. , Di Giuseppe D. , Antonelli G. , Filippi J. , Corsi F. , Ghibelli L. , Veith I. , Di Natale C. , Parrini M. C. , Martinelli E.
Published: March 2023

One of the major problems in bioimaging, often highly underestimated, is whether features extracted for a discrimination or regression task will remain valid for a broader set of similar experiments or in the presence of unpredictable perturbations during the image acquisition process. Such an issue is even more important when it is addressed in the context of deep learning features due to the lack of a priori known relationship between the black-box descriptors (deep features) and the phenotypic properties of the biological entities under study. In this regard, the widespread use of descriptors, such as those coming from pre-trained Convolutional Neural Networks (CNNs), is hindered by the fact that they are devoid of apparent physical meaning and strongly subjected to unspecific biases, i.e., features that do not depend on the cell phenotypes, but rather on acquisition artifacts, such as brightness or texture changes, focus shifts, autofluorescence or photobleaching. The proposed Deep-Manager software platform offers the possibility to efficiently select those features having lower sensitivity to unspecific disturbances and, at the same time, a high discriminating power. Deep-Manager can be used in the context of both handcrafted and deep features. The unprecedented performances of the method are proven using five different case studies, ranging from selecting handcrafted green fluorescence protein intensity features in chemotherapy-related breast cancer cell death investigation to addressing problems related to the context of Deep Transfer Learning. Deep-Manager, freely available at https://github.com/BEEuniroma2/Deep-Manager, is suitable for use in many fields of bioimaging and is conceived to be constantly upgraded with novel image acquisition perturbations and modalities.
Replacing gas boilers with heat pumps is the fastest way to cut German gas consumption
Authors: Altermatt Pietro P. , Clausen Jens , Brendel Heiko , Breyer Christian , Gerhards Christoph , Kemfert Claudia , Weber Urban , Wright Matthew
Published: March 2023

The supply security of fossil gas has been disrupted by the Russo-Ukrainian War. Decisions to relocate the production and transport of gas have become so urgent that new long-term contracts are imminent that undermine the Paris Climate Agreement. Here, we simulate how quickly the addition of renewable electricity and the installation of heat pumps can substitute enough gas to reduce supply risk, while taking a decisive step towards meeting the Paris Agreement. Our bottom-up modelling, using Germany as an example, shows technical pathways on how installing heat pumps is one of the fastest ways to reduce gas consumption, in addition to reducing the load hours of gas-fired power plants. With targeted efforts, maximally 60% of gas from the Russian Federation can be substituted by 2025 with heat pumps and grid expansions, and enough electricity will remain available that the phase-out of coal and the entry into e-mobility will still be practicable.
SO2-resistant NOx reduction over Cu-SAPO-34 catalysts via creating sulfur-phobic Cu sites
Authors: He Jiebing , Deng Jiang , Zhang Jin , Han Lupeng , Shen Yongjie , Chen Xin , Hu Xiaonan , Wang Junan , Zhang Dengsong
Published: March 2023

SO2-resistant NOx reduction over Cu-SAPO-34 catalysts was demonstrated via creating sulfur-phobic Cu sites.
Associations between environmental characteristics, high-resolution indoor microbiome, metabolome and allergic and non-allergic rhinitis symptoms for junior high school students
Authors: Fu Xi , Du Bingqian , Meng Yi , Li Yanling , Zhu Xunhua , Ou Zheyuan , Zhang Mei , Wen Huarong , Ma'pol Aminnuddin , Hashim Jamal Hisham , Hashim Zailina , Wieslander Gunilla , Chen Qingmei , Jiang Jun , Wang Juan , Norbäck Dan , Xia Yun , Chen Qingsong , Sun Yu
Published: March 2023

Bacteria Brasilonema bromeliae and Aeromonas enteropelogenes and the metabolite pipecolic acid were protectively associated with both allergic and non-allergic rhinitis symptoms. Pipecolic acid was highly co-occurrent with B. bromeliae.
Analysis of 13 haloacetamide DBPs in drinking water using a highly sensitive LC-MS/MS method
Authors: Zhou Run , Xu Zhifei , Wu Yukang , Yang Li , Li Xiuzhu , Meng Yuanhua , Zhu Pengfei , Kong Lingcan , Ding Xinliang
Published: March 2023

Human exposure to disinfection by-products (DBPs) primarily occurs through the consumption of drinking water.
Prewhitening and normalization help detect a strong cross-correlation between daily wastewater SARS-CoV-2 RNA abundance and COVID-19 cases in a community
Authors: Jeon Min Ki , Li Bo , Di Doris Yoong Wen , Yan Tao
Published: March 2023

Significant cross-correlation was observed between daily wastewater SARS-CoV-2 RNA abundance and clinical case numbers (with a two-day lag) after prewhitening and normalization of the time series data.
Bitterness-masking assessment of luteolin encapsulated in whey protein isolate-coated liposomes
Authors: Lu Hui , Wang Jin , Huang Meigui , Ahmad Mehraj , Cong Lixia , Tian Mengwei , Wang Qingling , Ying Ruifeng , Tan Chen
Published: March 2023

WPI-coated liposomes significantly decreased the bitterness of luteolin. WPI coating reduced the semi-permeability and enhanced the rigidity of the liposome membrane. WPI coating was beneficial for the stability of liposomes.
Assessing the roles of mechanical cracks in Ni-rich layered cathodes in the capacity decay of liquid and solid-state batteries
Authors: Zhang Xuedong , Wang Zaifa , Li Xiaomei , Su Yong , Ye Zhangran , Zhang Liqiang , Huang Qiao , Tang Yongfu , Huang Jianyu
Published: March 2023

Mechanical cracks produced by mechanical pressure cause significant initial capacity loss but little capacity decay in subsequent cycles in ASSB. In contrast, in LELIBs mechanical cracks do not induce initial capacity loss but produce long lasting capacity decay during cycling.
Thermo-responsive polymer catalysts for polyester recycling processes: switching from homogeneous catalysis to heterogeneous separations
Authors: Lechuga-Islas Víctor D. , Sánchez-Cerrillo Dulce M. , Stumpf Steffi , Guerrero-Santos Ramiro , Schubert Ulrich S. , Guerrero-Sánchez Carlos
Published: March 2023

The use of thermo-responsive polymers in switchable catalysts enables the efficient and homogeneous chemical recycling of post-consumer poly(ethylene terephthalate) and the heterogeneous separation of catalyst in a single system.
An environment-friendly approach using deep eutectic solvent combined with liquid–liquid microextraction based on solidification of floating organic droplets for simultaneous determination of preservatives in beverages
Authors: Zhao Jing , Hou Lingjun , Zhao Longshan , Liu Liqing , Qi Jianhua , Wang Longhu
Published: March 2023

A green ultrasound-assisted deep eutectic solvent extraction combined with LLME-SFO method was developed and validated for the determination of preservatives in beverages.
Practices in instrument use and development in chemistry education research and practice 2010–2021
Authors: Lazenby Katherine , Tenney Kristin , Marcroft Tina A. , Komperda Regis
Published: March 2023

Assessment instruments that generate quantitative data on attributes (cognitive, affective, behavioral, etc.) of participants are commonly used in the chemistry education community to draw conclusions in research studies or inform practice. Recently, articles and editorials have stressed the importance of providing evidence for the validity and reliability of data collected with these instruments following guidance from the Standards for Educational and Psychological Testing. This study examines how quantitative instruments have been used in the journal Chemistry Education Research and Practice (CERP) from 2010–2021. Of the 369 unique researcher-developed instruments used during this time frame, the majority only appeared in a single publication (89.7%) and were rarely reused. Cognitive topics were the most common target of the instruments (56.6%). Validity and/or reliability evidence was provided in 64.4% of instances where instruments were used in CERP publications. The most frequently reported evidence was single administration reliability (e.g., coefficient alpha), appearing in 47.9% of instances. Only 37.2% of instances reported evidence of both validity and reliability. These results indicate that, as a field, opportunities exist to increase the amount of validity and reliability evidence available for data collected with instruments and that reusing instruments may be one method of increasing this type of data quality evidence for instruments used by the chemistry education community.
Thermally stable inverted perovskite solar cells using an electropolymerized Zn-porphyrin film as a dopant-free hole-transporting layer
Authors: Lan Yangjie , Wang Yu-Duan , Lan Zhong-Rui , Wang Yang , Cui Bin-Bin , Shao Jiang-Yang , Zhong Yu-Wu
Published: March 2023

Electropolymerized Zn-porphyrin films are used to fabricate the dopant-free hole-transporting layer for high-performance perovskite solar cells.
Novel semiconductor materials for advanced supercapacitors
Authors: Liang Chang , Wang Shouzhi , Sha Shiyu , Lv Songyang , Wang Guodong , Wang Benfa , Li Qiubo , Yu Jiaoxian , Xu Xiangang , Zhang Lei
Published: March 2023

This manuscript systematically reviews the research progress of novel semiconductor materials in the preparation and application of SCs.
The substrate specificity in the O-demethylation of 4-alkylguaiacols by cytochrome P450 AgcAP450
Authors: Santos Sónia F. G. , Bommareddy Rajesh Reddy , Black Gary W. , Singh Warispreet , Huang Meilan
Published: March 2023

Alkylguaiacols are lignin-derived products obtained by reductive catalytic fractionation (RCF) of lignocellulosic biomass.
Switching the memory behaviour from binary to ternary by triggering S62− relaxation in polysulfide-bearing zinc–organic complex molecular memories
Authors: Zhou Pan-Ke , Lin Xiao-Li , Chee Mun Yin , Lew Wen Siang , Zeng Tao , Li Hao-Hong , Chen Xiong , Chen Zhi-Rong , Zheng Hui-Dong
Published: March 2023

A new type of zinc-organic-based ternary memories have been implemented by regulating the conjugated degree of organic ligands and triggering the ring-to-chain relaxation of S62−, which paves a new way for the construction of multilevel memories.
Light-powered swarming phoretic antimony chalcogenide-based microrobots with “on-the-fly” photodegradation abilities
Authors: Jancik-Prochazkova Anna , Pumera Martin
Published: March 2023

Light-induced swarming behavior of Sb2S3microrobots and their photocatalytic behavior.
Transition-metal free oxidative carbo-carboxylation of alkenes with formate in air
Authors: Xu Pei , Xu Hui , Wang Sai , Hao Tian-Zi , Yan Si-Yi , Guo Dong , Zhu Xu
Published: March 2023

A synthetic route to oxindole-3-acetic acid derivatives is disclosed through a transition-metal free carbo-carboxylation reaction with CO2˙−as the C1 sourcein situgenerated from formate under photo-induced conditions.
Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A–E
Authors: Chong Chuanke , Chang Le , Grimm Isabelle , Zhang Qunlong , Kuang Yang , Wang Bingjian , Kang Jingyi , Liu Wenhui , Baars Julian , Guo Yuanqiang , Schmalz Hans-Günther , Lu Zhaoyong
Published: March 2023

A concise and divergent enantioselective total synthesis of the revised structures of marine anti-cancer sesquiterpene hydroquinone meroterpenoids (+)-dysiherbols A–E was accomplished using dimethyl predysiherbol as a key common intermediate.
Formal synthesis of kibdelomycin and derivatisation of amycolose glycosides
Authors: Schriefer Manuel G. , Treiber Laura , Schobert Rainer
Published: March 2023

A new formal synthesis gave kibdelomycin with 2.8% yield over 19 steps, featuring a general method for introduction of a 3-(α-aminoalkyl) linkage into glycosides, and the firstN-glycosylation of 3-acyltetramic acids.
Multiple charge-transfer excited state induced efficient and stable thermally activated delayed fluorescence
Authors: Gao Teng , Liu Jianjun , Liu Guanhao , Qin Yuanyuan , Shen Shaogang , Gao Honglei , Dong Xiangyu , Wang Pengfei , Pu Yong-Jin , Wang Ying
Published: March 2023

Investigating donor (D)–acceptor (A) connection arrangements in dual-D–A thioxanthone derivatives to parse their effect on intersystem crossing (ISC)–reverse intersystem crossing (RISC) processes.
The role of porosity in collisions of granular aggregates: A simulation study of fusion, sliding, and fragmentation collisions
Authors: Bandyopadhyay Rahul , Umstätter Philipp , Urbassek Herbert M.
Published: March 2023

Context. Collisions between porous dust aggregates are crucial for the evolution of protoplanetary disks.

Aims. We study how the porosity, relative velocity, and impact parameter determine whether colliding dust aggregates grow or erode (fragment) in collisions.

Methods. We used a granular-mechanics simulation of aggregates composed of 20 000 grains to determine the collision outcomes of colliding aggregates. Only collisions between aggregates of an equal mass and porosity are considered.

Results. The collisional outcomes can be grouped into three classes: “fusion” if the mass of the largest post-collision cluster exceeds 150% of the mass of a single aggregate; “sliding” if the two largest post-collision clusters each contain more than 75% of the initial aggregate mass; and “fragmentation” as the remaining events. Fusion occurs for low velocities and impact parameters, sliding for large impact parameters, and fragmentation dominates at large velocities. The results for central collisions show no sliding and thus strongly differ from the impact-parameter-averaged results.

Conclusions. With increasing aggregate porosity, the sliding probability – and to a lesser degree also the fusion probability at small velocities – decreases and the fragmentation probability increases.
Modèle intégratif de l’évaluation : les études de cas au sein d’un essai clinique randomisé
Authors: Ambresin Gilles
Published: March 2023

Le débat sur l’évaluation de la psychothérapie a pu être vif en France, en particulier dans le domaine de la psychothérapie psychanalytique. L’utilisation de modèles de recherche trop simplistes lui a été reprochée. Cependant dans la dernière décennie, l’évaluation des psychothérapies a évolué, d’un paradigme favorisant les études cliniques randomisées portant sur des troubles à des études qui explorent les facteurs qui contribuent à des changements identifiés comme pertinents pour la pratique clinique. À l’aide d’une recherche incluant des études de cas tirés d’une étude clinique randomisée, l’article présente un design de recherche qui permet de favoriser la collaboration entre le clinicien et le chercheur.