bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of plum rain’s impact on power system emissions in Yangtze-Huaihe River basin of China
Authors: Pan Guangsheng , Hu Qinran , Gu Wei , Ding Shixing , Qiu Haifeng , Lu Yuping
Published: October 2021

As a typical climate that occurs in the Yangtze-Huaihe River basin of China with a size of 500,000 km2, plum rain can reduce the photovoltaic (PV) potential by lowering the surface irradiance (SI) in the affected region. Based on hourly meteorological data from 1980 to 2020, we find that plum rain can lower the SI in the affected region with a weekly peak drop of more than 20% at the most affected locations. This SI drop, coupled with a large number of deployed PV systems, can cause incremental CO2 emissions (ICEs) of local power systems by increasing the additional thermal power. Using a cost optimization model, we demonstrate that the ICEs in 2020 already reached 1.22 megatons and could range from 2.21 to 4.73 megatons, 3.47 to 7.19 megatons, and 2.97 to 7.43 megatons in 2030, 2040, and 2050, respectively, considering a change trend interval of a ±25% fluctuation in power generation and demand in the different years. To offset these ICEs, we compare four pathways integrated with promising technologies. This analysis reveals that the advanced deployment of complementary technologies can improve the PV utilization level to address climate impacts.
Differential diffusion driven far-from-equilibrium shape-shifting of hydrogels
Authors: Zhang Yue , Liu Kangkang , Liu Tao , Ni Chujun , Chen Di , Guo Jiamei , Liu Chang , Zhou Jian , Jia Zheng , Zhao Qian , Pan Pengju , Xie Tao
Published: October 2021

Far-from-equilibrium (FFE) conditions give rise to many unusual phenomena in nature. In contrast, synthetic shape-shifting materials typically rely on monotonic evolution between equilibrium states, limiting inherently the richness of the shape-shifting behaviors. Here we report an unanticipated shape-shifting behavior for a hydrogel that can be programmed to operate FFE-like behavior. During its temperature triggered shape-shifting event, the programmed stress induces uneven water diffusion, which pushes the hydrogel off the equilibrium based natural pathway. The resulting geometric change enhances the diffusion contrast in return, creating a self-amplifying sequence that drives the system into an FFE condition. Consequently, the hydrogel exhibits counterintuitive two opposite shape-shifting events under one single stimulation, at a speed accelerated by more than one order magnitude. Our discovery points to a future direction in creating FFE conditions to access otherwise unattainable shape-shifting behaviors, with potential implications for many engineering applications including soft robotics and medical devices.
Aging power spectrum of membrane protein transport and other subordinated random walks
Authors: Fox Zachary R. , Barkai Eli , Krapf Diego
Published: October 2021

Single-particle tracking offers detailed information about the motion of molecules in complex environments such as those encountered in live cells, but the interpretation of experimental data is challenging. One of the most powerful tools in the characterization of random processes is the power spectral density. However, because anomalous diffusion processes in complex systems are usually not stationary, the traditional Wiener-Khinchin theorem for the analysis of power spectral densities is invalid. Here, we employ a recently developed tool named aging Wiener-Khinchin theorem to derive the power spectral density of fractional Brownian motion coexisting with a scale-free continuous time random walk, the two most typical anomalous diffusion processes. Using this analysis, we characterize the motion of voltage-gated sodium channels on the surface of hippocampal neurons. Our results show aging where the power spectral density can either increase or decrease with observation time depending on the specific parameters of both underlying processes.
Physiologic biomechanics enhance reproducible contractile development in a stem cell derived cardiac muscle platform
Authors: Tsan Yao-Chang , DePalma Samuel J. , Zhao Yan-Ting , Capilnasiu Adela , Wu Yu-Wei , Elder Brynn , Panse Isabella , Ufford Kathryn , Matera Daniel L. , Friedline Sabrina , O’Leary Thomas S. , Wubshet Nadab , Ho Kenneth K. Y. , Previs Michael J. , Nordsletten David , Isom Lori L. , Baker Brendon M. , Liu Allen P. , Helms Adam S.
Published: October 2021

Human pluripotent stem cell-derived cardiomyocytes (hPSC-CMs) allow investigations in a human cardiac model system, but disorganized mechanics and immaturity of hPSC-CMs on standard two-dimensional surfaces have been hurdles. Here, we developed a platform of micron-scale cardiac muscle bundles to control biomechanics in arrays of thousands of purified, independently contracting cardiac muscle strips on two-dimensional elastomer substrates with far greater throughput than single cell methods. By defining geometry and workload in this reductionist platform, we show that myofibrillar alignment and auxotonic contractions at physiologic workload drive maturation of contractile function, calcium handling, and electrophysiology. Using transcriptomics, reporter hPSC-CMs, and quantitative immunofluorescence, these cardiac muscle bundles can be used to parse orthogonal cues in early development, including contractile force, calcium load, and metabolic signals. Additionally, the resultant organized biomechanics facilitates automated extraction of contractile kinetics from brightfield microscopy imaging, increasing the accessibility, reproducibility, and throughput of pharmacologic testing and cardiomyopathy disease modeling.
A highly sensitive and selective thiosemicarbazone chemosensor for detection of Co2+ in aqueous environments using RSM and TD/DFT approaches
Authors: Ismail Hakimah , Ahmad Mohammad Norazmi , Normaya Erna
Published: October 2021

Chemosensor using organic based compound offering superior alternative method in recognizing metal ion in environmental water. The optimization process strongly affected the performance of the designed sensor. In this study, a highly sensitive and selective colorimetric sensor system utilizing an organic compound, namely thiosemicarbazone-linked acetylpyrazine (TLA), to recognize Co2+ ions in different environmental water samples was successfully developed using the response surface methodology (RSM) approach. The developed model was optimized successfully and had statistically significant independent variables (p < 0.05), with optimum recognition occurring in 8:2 v/v DMSO/water at a pH of 5.3, a 100:70 µM TLA/Co2+ concentration, and 15 min of reaction time. Under optimum conditions, the TLA sensor recognized Co2+ ions at concentrations as low as 1.637 µM, which is lower than the detection limit of flame atomic absorption spectroscopy (FAAS). Theoretical approaches supported the experimental data as well as characterized and predicted the mechanistic non-covalent interactions of TLA-Co2+ within the chemosensing system. Finally, all the positive results produced in this study point to TLA as an alternative and comparable probe for recognizing Co2+ pollution in water that is cost effective, movable and easy-to-handle, requires no special training and ecofriendly.
Numerical investigation of nanofluid flow using CFD and fuzzy-based particle swarm optimization
Authors: Syah Rahmad , Elveny Marischa , Nasution Mahyuddin K. M. , Ponkratov Vadim V. , Kuznetsova Mariya Yurievna , Poltarykhin Andrey Leonidovich , Babanezhad Meisam
Published: October 2021

This paper is focused on the application and performance of artificial intelligence in the numerical modeling of nanofluid flows. Suspension of metallic nanoparticles in the fluids has shown potential in heat transfer enhancement of the based fluids. There are many numerical studies for the investigation of thermal and hydrodynamic characteristics of nanofluids. However, the optimization of the computational fluid dynamics (CFD) modeling by an artificial intelligence (AI) algorithm is not considered in any study. The CFD is a powerful technique from an accuracy point of view. However, it could be time and cost-consuming, especially in large-scale and complicated problems. It is expected that the machine learning technique of the AI algorithms could improve such CFD drawbacks by patterning the CFD data. Once the AI finds the CFD pattern intelligently, there is no need for CFD calculations. The particle swarm optimization-based fuzzy inference system (PSOFIS) is considered in this study to predict the velocity profile of Al2O3/water turbulent flow in a heated pipe. One of the challenging problems in CFD modeling is the lost data for a specific boundary condition. For example, the CFD data are available for wall heat fluxes of 75, 85, 105, and 125 w/m2, but there is no data for the wall heat flux of 95 w/m2. So, the PSOFIS learns the available CFD data, and it predicts the velocity profile for where the data is not available (i.e., wall heat flux of 95 w/m2). The intelligence of PSOFIS is checked by the coefficient of determination (R2 pattern) for different values of accept ratio (AR) and inertia weight damping ratio (IWDR). The best intelligence is obtained for the AR and IWDR of 0.7 and 0.99, respectively. At this condition, the velocity profile predicted by both CFD and PSOFIS is compatible. As the performance of the PSOFIS, for learning time of 268 s, the prediction of the CFD data lost was negligible (~ 1 s). In contrast, the CFD calculation takes around 600 s for each simulation.
Fatigue in patients with chronic disease: results from the population-based Lifelines Cohort Study
Authors: Goërtz Yvonne M. J. , Braamse Annemarie M. J. , Spruit Martijn A. , Janssen Daisy J. A. , Ebadi Zjala , Van Herck Maarten , Burtin Chris , Peters Jeannette B. , Sprangers Mirjam A. G. , Lamers Femke , Twisk Jos W. R. , Thong Melissa S. Y. , Vercoulen Jan H. , Geerlings Suzanne E. , Vaes Anouk W. , Beijers Rosanne J. H. C. G. , van Beers Martijn , Schols Annemie M. W. J. , Rosmalen Judith G. M. , Knoop Hans
Published: October 2021

(1) To evaluate the prevalence of severe and chronic fatigue in subjects with and without chronic disease; (2) to assess to which extent multi-morbidity contributes to severe and chronic fatigue; and (3) to identify predisposing and associated factors for severe and chronic fatigue and whether these are disease-specific, trans-diagnostic, or generic. The Dutch Lifelines cohort was used, including 78,363 subjects with (n = 31,039, 53 ± 12 years, 33% male) and without (n = 47,324, 48 ± 12 years, 46% male) ≥ 1 of 23 chronic diseases. Fatigue was assessed with the Checklist Individual Strength-Fatigue. Compared to participants without a chronic disease, a higher proportion of participants with ≥ 1 chronic disease were severely (23% versus 15%, p < 0.001) and chronically (17% versus 10%, p < 0.001) fatigued. The odds of having severe fatigue (OR [95% CI]) increased from 1.6 [1.5–1.7] with one chronic disease to 5.5 [4.5–6.7] with four chronic diseases; for chronic fatigue from 1.5 [1.5–1.6] to 4.9 [3.9–6.1]. Multiple trans-diagnostic predisposing and associated factors of fatigue were found, explaining 26% of variance in fatigue in chronic disease. Severe and chronic fatigue are highly prevalent in chronic diseases. Multi-morbidity increases the odds of having severe and chronic fatigue. Several trans-diagnostic factors were associated with fatigue, providing a rationale for a trans-diagnostic approach.
Measurement properties of the box and block test in children with unilateral cerebral palsy
Authors: Liang Kai-Jie , Chen Hao-Ling , Shieh Jeng-Yi , Wang Tien-Ni
Published: October 2021

This study aimed to examine the reliabilities (test–retest reliability and measurement error), construct validity, and the interpretability (minimal clinically important difference) of the Box and Block Test (BBT) to interpret test scores precisely for children with UCP. A total of 100 children with UCP were recruited and 50 children from the whole sample assessed the BBT twice within 2-week interval. The BBT, the Melbourne Assessment 2, the Bruininks–Oseretsky Test of Motor Proficiency, 2nd Edition, and the Pediatric Motor Activity Log Revised were measured before and immediately after a 36-h intensive neurorehabilitation intervention. Measurement properties of the BBT were performed according to the COnsensus-based Standards for the selection of health Measurement INstruments checklist. The test–retest reliability of the BBT was high (intraclass correlation coefficient = 0.98). The measurement error estimated by the MDC95 value was 5.95. Construct validity was considered good that 4 of 4 (100%) hypotheses were confirmed. The interpretability estimated by the MCID ranged from 5.29 to 6.46. The BBT is a reliable and valid tool for children with UCP. For research and clinical applications, an improvement of seven blocks on the BBT is recommended as an indicator of statistically significant and clinically important change.
Interglobular dentine attributed to vitamin D deficiency visible in cremated human teeth
Authors: Veselka Barbara , Snoeck Christophe
Published: October 2021

Vitamin D deficiency has hugely impacted the health of past societies. Its identification in skeletal remains provides insights into the daily activities, cultural habits, and the disease load of past populations. However, up till now, this approach remained impossible in cremated bones, because temperatures reached during cremations destroyed all macroscopic evidence of vitamin D deficiency. This precluded the analyses of a large fraction of the archaeological record, as cremation was an important burial ritual from the Late Neolithic until the Early Medieval period in Europe. Here, the identification of interglobular dentine (IGD), a dental mineralisation defect attributed to vitamin D deficiency, in experimentally burnt teeth, demonstrates this deficiency to be observable in human teeth burned to temperatures as high as 900 °C. In most cases, it becomes even possible to assess the ages-of-occurrence as well as the severity of the IGD and possibly vitamin D deficiency intensity. This study represents a major step forward in the fields of biological anthropology, archaeology, and palaeopathology by opening up a variety of new possibilities for the study of health and activities related to sunlight exposure of numerous past populations that practiced cremation as their funerary ritual.
Functional composition of ant assemblages in habitat islands is driven by habitat factors and landscape composition
Authors: Deák Balázs , Báthori Ferenc , Lőrinczi Gábor , Végvári Zsolt , Nagy Dávid D. , Mizser Szabolcs , Torma Attila , Valkó Orsolya , Tóthmérész Béla
Published: October 2021

Fragmented natural habitats within human-transformed landscapes play a key role in preserving biodiversity. Ants as keystone species are essential elements of terrestrial ecosystems; thus, it is important to understand the factors influencing their presence. In a large-scale multi-site study, we surveyed ant assemblages using sweep netting and D-vac sampling on 158 ancient burial mounds preserving grassland habitats in agricultural landscapes in East-Hungary. We asked the following questions: (1) How do habitat factors and landscape composition affect species richness and functional diversity of ants? (2) Which ant traits are affected by habitat factors and landscape composition? Despite their small sizes, mounds as permanent and relatively undisturbed landscape elements could provide safe havens for diverse ant assemblages even in transformed agricultural landscapes. The complex habitat structure of wooded mounds supported high species and functional diversity of ant assemblages. Ant species on wooded mounds had small or medium-sized colonies, enabling the co-existence of more species. The effect of landscape composition on ant assemblages was mediated by habitat factors: steep slopes buffered the negative effect of the cropland matrix and enabled higher ant diversity.
Riluzole-induced apoptosis in osteosarcoma is mediated through Yes-associated protein upon phosphorylation by c-Abl Kinase
Authors: Raghubir Marian , Azeem Syeda M. , Hasnat Rifat , Rahman Chowdhury N. , Wong Linda , Yan Salina , Huang Yu Qi , Zhagui Raquel , Blyufer Angelina , Tariq Iffat , Tam Cassey , Lhamo Sonam , Cecilio Lucas , Chowdhury Yesmin , ChandThakuri Shraddha , Mahajan Shahana S.
Published: October 2021

Our lab has previously demonstrated Riluzole to be an effective drug in inhibiting proliferation and inducing apoptosis in both human and mouse osteosarcoma. Yes-associated protein is a transcription co-activator, known to be involved in cell proliferation or apoptosis depending on its protein partner. In the present study we investigated the role of YAP in apoptosis in osteosarcoma, we hypothesized that YAP may be activated by Riluzole to induce apoptosis in osteosarcoma. By knocking down the expression of YAP, we have demonstrated that Riluzole failed to induce apoptosis in YAP deficient osteosarcoma cells. Riluzole caused translocation of YAP from the cytoplasm to the nucleus, indicating YAP’s role in apoptosis. Both Riluzole-induced phosphorylation of YAP at tyrosine 357 and Riluzole-induced apoptosis were blocked by inhibitors of c-Abl kinase. In addition, knockdown of c-Abl kinase prevented Riluzole-induced apoptosis in LM7 cells. We further demonstrated that Riluzole promoted interaction between YAP and p73, while c-Abl kinase inhibitors abolished the interaction. Subsequently, we demonstrated that Riluzole enhanced activity of the Bax promoter in a luciferase reporter assay and enhanced YAP/p73 binding on endogenous Bax promoter in a ChIP assay. Our data supports a novel mechanism in which Riluzole activates c-Abl kinase to regulate pro-apoptotic activity of YAP in osteosarcoma.
Automated urine sediment analyzers underestimate the severity of hematuria in glomerular diseases
Authors: Yang Won Seok
Published: October 2021

Hematuria, either glomerular or extraglomerular, is defined as 3 or more red blood cells (RBCs)/high power field. Currently, urinalyses are commonly performed using automated urine sediment analyzers. To assess whether RBC counting by automated urine sediment analyzers is reliable for defining hematuria in glomerular disease, random specimen urinalyses of men with nephritic glomerular disease (7674 urinalyses) and bladder cancer (12,510 urinalyses) were retrospectively reviewed. Urine RBCs were counted by an automated urine sediment analyzer based on flow cytometry (UF-1000i, Sysmex Corporation) or digital image analysis (Cobas 6500, Roche Diagnostics GmbH). In about 20% of urine specimens, the specific gravity was less than 1.010, making the RBC counts unreliable. In the urine specimens with specific gravity ≥ 1.010, RBC counts measured using either UF-1000i or Cobas 6500 were well correlated with the positive grades in the dipstick blood test. However, at a trace, 1+, or higher positive dipstick tests for blood, RBC counts were graded significantly lower in glomerular disease than in bladder cancer. The findings suggest that RBC counting by UF-1000i or Cobas 6500 underestimates the severity of hematuria in glomerular disease, possibly because dysmorphic RBCs in glomerular disease are susceptible to hemolysis and/or fail to be properly recognized.
Toxic element levels in ingredients and commercial pet foods
Authors: Zafalon Rafael Vessecchi Amorim , Pedreira Raquel Silveira , Vendramini Thiago Henrique Annibale , Rentas Mariana Fragoso , Pedrinelli Vivian , Rodrigues Roberta Bueno Aires , Risolia Larissa Wunsche , Perini Mariana Pamplona , Amaral Andressa Rodrigues , de Carvalho Balieiro Júlio Cesar , Pontieri Cristiana Fonseca Ferreira , Brunetto Marcio Antonio
Published: October 2021

Nowadays, there is a growing concern about contamination of toxic metals (TM) in pet food due to the great potential for health risks of these elements. TM concentrations in commercial pet foods (n = 100) as well as in ingredients used in their composition (n = 100) were analyzed and compared to the Food and Drug Administration (FDA) maximum tolerable level (MTL), and the TM concentrations found in the different sources of carbohydrate, protein, and fat were compared. The TM concentrations were determined by inductively coupled plasma with optical emission spectrometry (ICP-OES). Concentrations above the MTL for aluminum, mercury, lead, uranium, and vanadium were observed in both dog and cat foods, and the percentage of dog foods that exceeded the MTL of these TM were: 31.9%; 100%; 80.55%; 95.83%; and 75%, respectively, and in cat foods: 10.71%; 100%; 32.14%; 85.71%; 28.57%, respectively. The MTL values of these TMs and the mean values in dog foods (mg/kg dry matter basis) (MTL [mean ± standard deviation]) were: aluminum: 200 (269.17 ± 393.74); mercury: 0.27 (2.51 ± 1.31); lead: 10 (12.55 ± 4.30); uranium: 10 (76.82 ± 28.09); vanadium: 1 (1.35 ± 0.69), while in cat foods were: aluminum: 200 (135.51 ± 143.95); mercury: 0.27 (3.47 ± 4.31); lead: 10 (9.13 ± 5.42); uranium: 10 (49.83 ± 29.18); vanadium: 1 (0.81 ± 0.77). Dry foods presented higher concentrations of most TM (P < 0.05) than wet foods (P < 0.05). Among the carbohydrate sources, there were the highest levels of all TM except cobalt, mercury, and nickel in wheat bran (P < 0.05), while among the protein sources, in general, animal by-products had higher TM concentrations than plant-based ingredients. Pork fat had higher concentrations of arsenic, mercury, and antimony than fish oil and poultry fat. It was concluded that the pet foods evaluated in this study presented high concentrations of the following TM: aluminum, mercury, lead, uranium, and vanadium.
LINC00963/miR-4458 regulates the effect of oxaliplatin in gastric cancer by mediating autophagic flux through targeting of ATG16L1
Authors: Hou Meng , Li Chao , Dong Shunbin
Published: October 2021

Oxaliplatin resistance is the greatest obstacle to the management of local recurrence in gastric cancer patients after surgery. Accumulating evidence has suggested that inhibiting autophagy may be a novel approach for reversing resistance to oxaliplatin treatment. In this manuscript, we aimed to investigate the role of LINC00963 in regulating autophagy and oxaliplatin resistance. qRT-PCR, immunochemistry staining, and western blotting were used to detect gene expression. Plasmids were used to up- and downregulate the expression of LINC00963 and miR-4458. A caspase 3/7 activity kit and flow cytometry were used to detect the apoptosis rate. CCK8 and Transwell assays were used to test cell proliferation and migration, respectively. Transmission electron microscopy and a dual fluorescent lentivirus autophagy system were used to evaluate autophagic flux. Dual luciferase reporter gene assays and RNA pulldown assays were used to evaluate the potential crosstalk. LINC00963 was highly expressed in gastric cancer patients and cell lines. In addition, high LINC00963 expression was found to be associated with poor prognosis and local recurrence in gastric cancer patients, indicating that LINC00963 might be involved in oxaliplatin resistance. Moreover, we found that LINC00963 was aberrantly highly expressed in oxaliplatin-resistant SGC-7901 (SGC-7901-R) cells and promoted proliferation and migration and reduced the apoptosis rate in SGC-7901-R cells. Furthermore, among all potential target microRNAs, miR-4458 was found to be negatively regulated by LINC00963 both in vivo and in vitro. In addition, miR-4458 overexpression led to impaired proliferation and migration and enhanced cell apoptosis and G1 arrest in SGC-7901-R cells. Further RNA pulldown and dual luciferase reporter gene assays indicated the interaction between LINC00963 and miR-4458. Moreover, we found enhanced autophagic flux in SGC-7901-R cells compared with SGC-7901 cells; in addition, an inhibitor of autophagy induced apoptosis in SGC-7901-R cells. Then, we found that downregulation of LINC00963 expression and upregulation of miR-4458 expression significantly suppressed autophagic flux in SGC-7901-R cells. Based on starBase V3.0 and dual luciferase reporter gene assays, we predicted and confirmed that ATG16L1 might be the target of miR-4458 to regulate autophagy. In conclusion, LINC00963 and miR-4458 are potential biomarkers for predicting the overall survival of gastric cancer patients. Moreover, targeting LINC00963 to inhibit autophagic flux sensitizes gastric cancer cells to oxaliplatin treatment, suggesting that it is a potential novel therapeutic target for improving oxaliplatin sensitivity.
Psychological and physiological evidence for an initial ‘Rough Sketch’ calculation of personal space
Authors: Tootell Roger B. H. , Zapetis Sarah L. , Babadi Baktash , Nasiriavanaki Zahra , Hughes Dylan E. , Mueser Kim , Otto Michael , Pace-Schott Ed , Holt Daphne J.
Published: October 2021

Personal space has been defined as “the area individuals maintain around themselves into which others cannot intrude without arousing discomfort”. However, the precise relationship between discomfort (or arousal) responses as a function of distance from an observer remains incompletely understood. Also the mechanisms involved in recognizing conspecifics and distinguishing them from other objects within personal space have not been identified. Accordingly, here we measured personal space preferences in response to real humans and human-like avatars (in virtual reality), using well-validated “stop distance” procedures. Based on threshold measurements of personal space, we examined within-subject variations in discomfort-related responses across multiple distances (spanning inside and outside each individual’s personal space boundary), as reflected by psychological (ratings) and physiological (skin conductance) responses to both humans and avatars. We found that the discomfort-by-distance functions for both humans and avatars were closely fit by a power law. These results suggest that the brain computation of visually-defined personal space begins with a ‘rough sketch’ stage, which generates responses to a broad range of human-like stimuli, in addition to humans. Analogous processing mechanisms may underlie other brain functions which respond similarly to both real and simulated human body parts.
Crystalline and magnetic properties of CoO nanoparticles locally investigated by using radioactive indium tracer
Authors: Santos Renata V. , Cabrera-Pasca Gabriel A. , Costa Cleidilane S. , Bosch-Santos Brianna , Otubo Larissa , Pereira Luciano F. D. , Correa Bruno S. , Effenberger Fernando B. , Burimova Anastasia , Freitas Rafael S. , Carbonari Artur W.
Published: October 2021

We herein report a comprehensive investigation on the magnetic, structural, and electric properties of CoO nanoparticles with different sizes by local inspection through hyperfine interactions measured in a wide range of temperatures (10–670 K) by using radioactive $$^{111}$$

111

In($$^{111}$$

111

Cd) tracers with the perturbed angular correlations technique. Small cobalt oxide nanoparticles with the characteristic size of 6.5 nm have been prepared by the wet chemical route that turned out to be essential to incorporate radioactivity tracers during nucleation and growth of the particles. Nanocrystalline samples with 22.1 nm size were obtained by thermal treatments under low pressure of helium at 670 K. The hyperfine data were correlated with X-ray diffraction, ZFC–FC magnetic measurements, and transmission electron microscopy to describe the structure, magnetic properties, size, and shape of samples. An analysis of the temperature evolution of hyperfine parameters revealed that the structural distortion and the magnetic disorder in the core and on the surface layer play an important role in the magnetic behavior of CoO nanoparticles.
Impact and burden of acid sphingomyelinase deficiency from a patient and caregiver perspective
Authors: Pokrzywinski Robin , Hareendran Asha , Nalysnyk Luba , Cowie Sandy , Crowe Joslyn , Hopkin Justin , Joshi Dhaivat , Pulikottil-Jacob Ruth
Published: October 2021

Acid sphingomyelinase deficiency (ASMD), historically known as Niemann–Pick disease (NPD) types A, A/B, and B, is a rare, progressive, potentially fatal lysosomal storage disease with a spectrum of phenotypes. Little is known about how ASMD symptoms affect the lives of patients and their caregivers. In a cross-sectional qualitative study conducted in the US and UK, and in collaboration with the National Niemann–Pick Disease Foundation (US) and Niemann–Pick UK, we investigated the symptom experience of patients with ASMD types B and A/B and explored how the disease impacts their and their caregivers’ lives. The study included 17 adult patients (mean age 38.7 years, 12 female), three caregivers of adults with ASMD, 12 pediatric/adolescent patients with ASMD (mean age 10.5 years, six female), and 12 caregivers of pediatric/adolescent patients with ASMD. The most commonly reported disease manifestations were respiratory (n = 26, 89.7%), abdominal (n = 25, 86.2%), and musculoskeletal symptoms (n = 23, 79.3%); excessive bleeding or bruising (n = 20, 69%); fatigue (n = 20, 69%); gastrointestinal symptoms (n = 18, 62.1%); and headache (n = 15, 51.7%). ASMD was reported to negatively impact patients’ physical function (n = 23, 79.3%), self-esteem (n = 18, 62.1%), emotions (n = 16, 55.2%), social function and relationships (n = 16, 55.2%), and personal care (n = 9, 31%). Providing care for individuals with ASMD negatively affected caregivers’ emotional well-being (n = 12, 80%), social function (n = 4, 26.7%), relationships (n = 6, 40%), and financial security (n = 7, 46.7%). The physical toll of providing care, the need for lifestyle changes, and the responsibility for making medical decisions added to the burden for caregivers. Alternatively, some caregivers noted that caring for a loved one enhanced their spirituality, providing them with a different outlook on life and a deeper personal resolve. This study showed that ASMD is a substantial burden for patients and caregivers, with long-term physical, emotional, social, and financial impacts. The study confirmed commonly known manifestations of ASMD, especially respiratory problems, but also identified less recognized ones, such as dermatological complications. The data collected and insight gained from this study should enhance clinical care, help evaluate new treatments, and inform health care decision making for patients with ASMD.
Optimizing the quantitative analysis of solid biomass fuel properties using laser induced breakdown spectroscopy (LIBS) coupled with a kernel partial least squares (KPLS) model
Authors: Jiang Yuan , Lu Zhimin , Chen Xiaoxuan , Yu Ziyu , Qin Huaiqing , Chen Jinzheng , Lu Jidong , Yao Shunchun
Published: October 2021

A KPLS method combined with LIBS data reflects the non-linear relationships between LIBS spectra and the fuel property index being predicted.
Identification and molecular docking of peptides from Mizuhopecten yessoensis myosin as human bitter taste receptor T2R14 blockers
Authors: Zhao Wenzhu , Li Donghui , Wang Yingxue , Kan Ruotong , Ji Huizhuo , Su Lijun , Yu Zhipeng , Li Jianrong
Published: October 2021

Bitter taste receptor 14(T2R14) is one of the most widely regulated bitter taste receptors (T2Rs) and plays a vital role in the research of T2R blockers.
Deciphering molecular interaction and digestibility in retrogradation of amylopectin gel networks
Authors: Zhou Xiao , Campanella Osvaldo H. , Hamaker Bruce R. , Miao Ming
Published: October 2021

The aewx amylopectin with a higher proportion of longer external chains prompted the formation of double helices at the junction zones of gel network, resulting in the enzyme-resistant structure during retrogradation.
A phase-transfer catalyst-based nanoreactor for accelerated hydrogen sulfide bio-imaging
Authors: Xing Panfei , Niu Yiming , Li Jiacheng , Xie Daping , Zhou Huiqun , Chen Jiaxi , Dong Lei , Wang Chunming
Published: October 2021

Phase-transfer catalyst (PTC)-based nanoprobes were designed to accelerate the probe–analyte reaction in aqueous solutions for the real-time imaging of H2S under biological conditions.
The amorphous-crystalline transition in SinH2m nanoclusters
Authors: Bushlanova Natalia , Baturin Vladimir , Lepeshkin Sergey , Uspenskii Yurii
Published: October 2021

Three structural forms of Si–H clusters were found: (1) amorphous clusters with dangling bonds (DB) (unstable), (2) amorphous clusters without DB and (3) the crystalline form. The P–T diagram of stable phases is shown.
Adsorption of alkylamines on Cu surfaces: identifying ideal capping molecules using first-principles calculations
Authors: Chen Zihao , Fichthorn Kristen A.
Published: October 2021

We used dispersion-corrected density-functional theory to perform an in silico search over a series of primary alkylamines, including linear, branched, and cyclic molecules, to identify capping molecules for shape-selective Cu nanocrystal synthesis.
Improved cycling stability of high nickel cathode material for lithium ion battery through Al- and Ti-based dual modification
Authors: Mao Guihong , Luo Jing , Zhou Qing , Xiao Fangming , Tang Renheng , Li Jian , Zeng Liming , Wang Ying
Published: October 2021

A high nickel cathode material, NCAT15, co-doped with Al and Ti and coated with α-LiAlO2 and Li2TiO3, was prepared. NCAT15 could significantly suppress the occurrence of interfacial side reactions and effectively improve the cyclic performance.
A label-free graphene-based impedimetric biosensor for real-time tracing of the cytokine storm in blood serum; suitable for screening COVID-19 patients
Authors: Khayamian Mohammad Ali , Parizi Mohammad Salemizadeh , Ghaderinia Mohammadreza , Abadijoo Hamed , Vanaei Shohreh , Simaee Hossein , Abdolhosseini Saeed , Shalileh Shahriar , Faramarzpour Mahsa , Naeini Vahid Fadaei , Hoseinpour Parisa , Shojaeian Fatemeh , Abbasvandi Fereshteh , Abdolahad Mohammad
Published: October 2021

Rapid and label-free detection of the cytokine storm in COVID-19 patients by an electrochemical impedimetric biosensor with a graphene working electrode.
Pharmacophore modeling, docking and the integrated use of a ligand- and structure-based virtual screening approach for novel DNA gyrase inhibitors: synthetic and biological evaluation studies
Authors: Mathpal Deepti , Masand Mukesh , Thomas Anisha , Ahmad Irfan , Saeed Mohd , Zaman Gaffar Sarwar , Kamal Mehnaz , Jawaid Talha , Sharma Pramod K. , Gupta Madan M. , Kumar Santosh , Srivastava Swayam Prakash , Balaramnavar Vishal M.
Published: October 2021

Fluoroquinolones, a class of compound, actviainhibiting DNA gyrase and topoisomerase IV enzymes.
Effect of hydroxyl on antioxidant properties of 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one to scavenge free radicals
Authors: Chen Zhifei , Liu Qiang , Zhao Zhiwei , Bai Bing , Sun Zhitao , Cai Lili , Fu Yufeng , Ma Yuping , Wang Qingfu , Xi Gaolei
Published: October 2021

The hydroxyl group at the olefin position exhibited a remarkable impact on the antioxidant activity of DDMP, indicating that the unstable enol structure in the DDMP moiety is the key factor for its antioxidant activity.
Ratiometric fluorescence assay based on carbon dots and Cu2+-catalyzed oxidation ofO-phenylenediamine for the effective detection of deferasirox
Authors: Miao Chen-Fang , Guo Xian-Zhong , Zhang Xin-Tian , Lin Yin-Ning , Han Wen-Di , Huang Zheng-Jun , Weng Shao-Huang
Published: October 2021

CDs with appropriate emission property interacted with Cu2+-catalyzed oxidation of OPD to form a ratiometric fluorescence strategy for deferasirox (DEF) detection.
Correction: Simultaneous quantification of five biomarkers in ethanolic extract of Cassia occidentalis Linn. stem using liquid chromatography tandem mass spectrometry: application to its pharmacokinetic studies
Authors: Riyazuddin Mohammed , Husain Athar , Verma Saurabh , Katekar Roshan , Garg Richa , Kumar Sudhir , Satish Sabbu , Maurya Rakesh , Narender Tadigoppula , Chattopadhyay Naibedya , Gayen Jiaur R.
Published: October 2021

Correction for ‘Simultaneous quantification of five biomarkers in ethanolic extract of Cassia occidentalis Linn. stem using liquid chromatography tandem mass spectrometry: application to its pharmacokinetic studies’ by Mohammed Riyazuddin et al., RSC Adv., 2020, 10, 4579–4588. DOI: 10.1039/C9RA07482A
Controlling the pyridinium–zwitterionic ligand ratio on atomically precise gold nanoclusters allowing for eradicating Gram-positive drug-resistant bacteria and retaining biocompatibility
Authors: Pang Zeyang , Li Qizhen , Jia Yuexiao , Yan Weixiao , Qi Jie , Guo Yuan , Hu Fupin , Zhou Dejian , Jiang Xingyu
Published: October 2021

A NIR-II fluorescent Au25 nanocluster capped with optimal dual functional ligands can effectively aggregate and kill Gram-positive drug-resistant bacteria while maintaining good biocompatibility.
Direction reversing active Brownian particle in a harmonic potential
Authors: Santra Ion , Basu Urna , Sabhapandit Sanjib
Published: October 2021

We show that the stationary state of a direction reversing active Brownian particle in a two-dimensional harmonic trap exhibits four distinct phases due to the interplay between the rotational diffusivity, direction reversal rate and trap strength.
W/O high internal phase emulsions (HIPEs) stabilized by a piperazinyl based emulsifier
Authors: Jiang Feng , Gao Donghui , Feng Xi , Pan Jiaming , Pu Wanfen
Published: October 2021

In this study, a piperazinyl-based emulsifier (EA/AMPA) was synthesized to prepare water-in-oil (W/O) high internal phase emulsions (HIPEs).
Self-adhesive flexible patches of oxide heterojunctions with tailored band alignments for electrocatalytic H2O2 generation
Authors: Khayyam Nekouei Rasoul , S. Mofarah Sajjad , Maroufi Samane , Cazorla Claudio , O'Mullane Anthony P. , Yao Yin , Lim Sean , Tricoli Antonio , Sahajwalla Veena
Published: October 2021

This work reports fabrication of centimetre-size, flexible, self-adhesive ZnO-based heterojunction patches with a tuned electronic band and outstanding electrochemical activity, offering promising alternatives for noble electrocatalysts such as Pt.
Language Sample Analysis in Clinical Practice: Speech-Language Pathologists' Barriers, Facilitators, and Needs
Authors: Klatte Inge S. , van Heugten Vera , Zwitserlood Rob , Gerrits Ellen
Published: October 2021

Purpose:

Most speech-language pathologists (SLPs) working with children with developmental language disorder (DLD) do not perform language sample analysis (LSA) on a regular basis, although they do regard LSA as highly informative for goal setting and evaluating grammatical therapy. The primary aim of this study was to identify facilitators, barriers, and needs related to performing LSA by Dutch SLPs working with children with DLD. The secondary aim was to investigate whether a training would change the actual performance of LSA.

Method:

A focus group with 11 SLPs working in Dutch speech-language pathology practices was conducted. Barriers, facilitators, and needs were identified using thematic analysis and categorized using the theoretical domain framework. To address the barriers, a training was developed using software program CLAN. Changes in barriers and use of LSA were evaluated with a survey sent to participants before, directly after, and 3 months posttraining.

Results:

The barriers reported in the focus group were SLPs' lack of knowledge and skills, time investment, negative beliefs about their capabilities, differences in beliefs about their professional role, and no reimbursement from health insurance companies. Posttraining survey results revealed that LSA was not performed more often in daily practice. Using CLAN was not the solution according to participating SLPs. Time investment remained a huge barrier.

Conclusions:

A training in performing LSA did not resolve the time investment barrier experienced by SLPs. User-friendly software, developed in codesign with SLPs might provide a solution. For the short-term, shorter samples, preferably from narrative tasks, should be considered.
Toward a multidimensional analysis of transmission spectroscopy
Authors: Pluriel William , Leconte Jérémy , Parmentier Vivien , Zingales Tiziano , Falco Aurélien , Selsis Franck , Bordé Pascal
Published: October 2021

Hot Jupiters (HJs) are very good targets for transmission spectroscopy analysis. Their atmospheres have a large scale height, implying a high signal-to-noise ratio. As these planets orbit close to their stars, they often present strong thermal and chemical heterogeneities between the day- and nightside of their atmosphere. For the hottest of these planets, the thermal dissociation of several species occurs in their atmospheres, which leads to a stronger chemical dichotomy between the two hemispheres. It has already been shown that the current retrieval algorithms, which are using 1D forward models, find biased molecular abundances in ultrahot Jupiters. Here, we quantify the effective temperature domain over which these biases are present. We used a set of 12 simulations of typical HJs fromTeq= 1000 K toTeq= 2100 K performed with the substellar and planetary atmospheric radiation and circulation global climate model and generate transmission spectra that fully account for the 3D structure of the atmosphere with Pytmosph3R. These spectra were then analyzed using the 1D TauREx retrieval code. We find that forJames WebbSpace Telescope like data, accounting for nonisothermal vertical temperature profiles is required over the whole temperature range. We further find that 1D retrieval codes start to estimate incorrect parameter values for planets with equilibrium temperatures greater than 1400 K if there are absorbers in the visible (such as TiO and VO, e.g.) that are able to create a hot stratosphere. The high temperatures at low pressures indeed entail a thermal dissociation of species that creates a strong chemical day-night dichotomy. As a byproduct, we demonstrate that when synthetic observations are used to assess the detectability of a given feature or process using a Bayesian framework (e.g., by comparing the Bayesian evidence of retrievals with different model assumptions), it is valid to use nonrandomized input data as long as the anticipated observational uncertainties are correctly taken into account.
Youth analysis of near-infrared spectra of young low-mass stars and brown dwarfs
Authors: Almendros-Abad V. , Mužić K. , Moitinho A. , Krone-Martins A. , Kubiak K.
Published: October 2021

Context.Studies of the low-mass population statistics in young clusters are the foundation for our understanding of the formation of low-mass stars and brown dwarfs. Robust low-mass populations can be obtained through near-infrared spectroscopy, which provides confirmation of the cool and young nature of member candidates. However, the spectroscopic analysis of these objects is often not performed in a uniform manner, and the assessment of youth generally relies on the visual inspection of youth features whose behavior is not well understood.

Aims.We aim at building a method that efficiently identifies young low-mass stars and brown dwarfs from low-resolution near-infrared spectra, by studying gravity-sensitive features and their evolution with age.

Methods.We have built a data set composed of all publicly available (∼2800) near-infrared spectra of dwarfs with spectral types between M0 and L3. First, we investigate methods for the derivation of the spectral type and extinction via comparison to spectral templates and various spectral indices. Then, we examine gravity-sensitive spectral indices and apply machine learning methods in order to efficiently separate young (≲10 Myr) objects from the field.

Results.Using a set of six spectral indices for spectral typing, including two newly defined ones (TLI-Jand TLI-K), we are able to achieve a precision below one spectral subtype across the entire spectral type range. We define a new gravity-sensitive spectral index (TLI-g) that consistently separates young objects from field objects; it shows a performance superior to other indices from the literature. Even better separation between the two classes can be achieved through machine learning methods that use the entire near-infrared spectra as an input. Moreover, we show that theHandKbands alone are sufficient for this purpose. Finally, we evaluate the relative importance of different spectral regions for gravity classification as returned by the machine learning models. We find that theH-band broadband shape is the most relevant feature, followed by the FeH absorption bands at 1.2 μm and 1.24 μm and the KI doublet at 1.24 μm.
Observed tidal evolution of Kleopatra’s outer satellite
Authors: Brož M. , Ďurech J. , Carry B. , Vachier F. , Marchis F. , Hanuš J. , Jorda L. , Vernazza P. , Vokrouhlický D. , Walterová M. , Behrend R.
Published: October 2021

Aims. The orbit of the outer satellite Alexhelios of (216) Kleopatra is already constrained by adaptive-optics astrometry obtained with the VLT/SPHERE instrument. However, there is also a preceding occultation event in 1980 attributed to this satellite. Here, we try to link all observations, spanning 1980–2018, because the nominal orbit exhibits an unexplained shift by + 60° in the true longitude.

Methods. Using both a periodogram analysis and an ℓ = 10 multipole model suitable for the motion of mutually interacting moons about the irregular body, we confirmed that it is not possible to adjust the respective osculating period P2. Instead, we were forced to use a model with tidal dissipation (and increasing orbital periods) to explain the shift. We also analysed light curves spanning 1977–2021, and searched for the expected spin deceleration of Kleopatra.

Results. According to our best-fit model, the observed period rate is Ṗ2 = (1.8 ± 0.1) × 10−8 d d−1 and the corresponding time-lag Δt2 = 42 s of tides, for the assumed value of the Love number k2 = 0.3. This is the first detection of tidal evolution for moons orbiting 100 km asteroids. The corresponding dissipation factor Q is comparable with that of other terrestrial bodies, albeit at a higher loading frequency 2|ω − n|. We also predict a secular evolution of the inner moon, Ṗ1 = 5.0 × 10−8, as well as a spin deceleration of Kleopatra, Ṗ0 = 1.9 × 10−12. In alternative models, with moons captured in the 3:2 mean-motion resonance or more massive moons, the respective values of Δt2 are a factor of between two and three lower. Future astrometric observations using direct imaging or occultations should allow us to distinguish between these models, which is important for our understanding of the internal structure and mechanical properties of (216) Kleopatra.