bluuebunny/crossref_metadata_2025 huggingface dataset:
Effectiveness of a computerized clinical decision support system for prevention of glucocorticoid-induced osteoporosis
Authors: Morikawa Toru , Sakuma Mio , Nakamura Tsukasa , Sonoyama Tomohiro , Matsumoto Chisa , Takeuchi Jiro , Ohta Yoshinori , Kosaka Shinji , Morimoto Takeshi
Published: September 2022

Glucocorticoids are widely used for a variety of diseases, but the prevention of glucocorticoid-induced osteoporosis is sometimes neglected. Therefore, the effectiveness of a computerized clinical decision support system (CDSS) to improve the performance rate of preventive care for glucocorticoid-induced osteoporosis was evaluated. We conducted a prospective cohort study of outpatients who used glucocorticoids for three months or longer and who met the indication for preventive care based on a guideline. The CDSS recommended bisphosphonate (BP) prescription and bone mineral density (BMD) testing based on the risk of osteoporosis. The observation period was one year (phase 1: October 2017–September 2018) before implementation and the following one year (phase 2: October 2018–September 2019) after implementation of the CDSS. Potential alerts were collected without displaying them during phase 1, and the alerts were displayed during phase 2. We measured BP prescriptions and BMD testing for long-term prescription of glucocorticoids. A total of 938 patients (phase 1, 457 patients; phase 2, 481 patients) were included, and the baseline characteristics were similar between the phases. The median age was 71 years, and men accounted for 51%. The primary disease for prescription of glucocorticoids was rheumatic disease (28%), followed by hematologic diseases (18%). The prevalence of patients who needed an alert for BP prescription (67% vs. 63%, P = 0.24) and the acceptance rate of BP prescription (16% vs. 19%, P = 0.33) were similar between the phases. The number of patients who had orders for BMD testing was significantly increased (4% vs. 24%, P < 0.001) after CDSS implementation. The number of patients who needed an alert for BMD testing was significantly decreased from 93% in phase 1 to 87% in phase 2 (P = 0.004). In conclusion, the CDSS significantly increased BMD testing in patients with a higher risk of glucocorticoid-induced osteoporosis, but did not increase BP prescription.
Elevated serum IgA following vaccination against SARS-CoV-2 in a cohort of high-risk first responders
Authors: Montague Brian T. , Wipperman Matthew F. , Chio Erica , Crow Rowena , Hooper Andrea T. , O’Brien Meagan P. , Simões Eric A. F.
Published: September 2022

IgA plays an important early neutralizing role after SARS-CoV-2 infection. Systemically administered vaccines typically produce an IgM/IgG predominant response. We evaluated the serum anti-spike (anti-S) IgG, anti-nucleocapsid (anti-N) IgG and anti-S IgA response following vaccination against SARS-CoV-2 in a cohort of first-responders. Among the 378 completely vaccinated participants, 98% were positive for anti-S IgG and 96% were positive for anti-S IgA. Nine percent were positive for anti-N IgG suggesting prior exposure to SARS-CoV-2. No statistically significant difference was seen in IgA response based on prior evidence infection (p = 0.18). Ninety-eight of those receiving the Moderna vaccine (98%) were positive for anti-S IgA as compared to 91% of those who received the Pfizer vaccine (p = 0.0009). The high proportion of participants observed to have a positive anti-S IgA response after vaccination suggests that the vaccines elicit a systemic response characterized by elevated levels of both IgG and IgA.
Polyphenolic grape stalk and coffee extracts attenuate spinal cord injury-induced neuropathic pain development in ICR-CD1 female mice
Authors: Bagó-Mas Anna , Korimová Andrea , Deulofeu Meritxell , Verdú Enrique , Fiol Núria , Svobodová Viktorie , Dubový Petr , Boadas-Vaello Pere
Published: September 2022

More than half of spinal cord injury (SCI) patients develop central neuropathic pain (CNP), which is largely refractory to current treatments. Considering the preclinical evidence showing that polyphenolic compounds may exert antinociceptive effects, the present work aimed to study preventive effects on SCI-induced CNP development by repeated administration of two vegetal polyphenolic extracts: grape stalk extract (GSE) and coffee extract (CE). Thermal hyperalgesia and mechanical allodynia were evaluated at 7, 14 and 21 days postinjury. Then, gliosis, ERK phosphorylation and the expression of CCL2 and CX3CL1 chemokines and their receptors, CCR2 and CX3CR1, were analyzed in the spinal cord. Gliosis and CX3CL1/CX3CR1 expression were also analyzed in the anterior cingulate cortex (ACC) and periaqueductal gray matter (PAG) since they are supraspinal structures involved in pain perception and modulation. GSE and CE treatments modulated pain behaviors accompanied by reduced gliosis in the spinal cord and both treatments modulated neuron-glia crosstalk-related biomolecules expression. Moreover, both extracts attenuated astrogliosis in the ACC and PAG as well as microgliosis in the ACC with an increased M2 subpopulation of microglial cells in the PAG. Finally, GSE and CE prevented CX3CL1/CX3CR1 upregulation in the PAG, and modulated their expression in ACC. These findings suggest that repeated administrations of either GSE or CE after SCI may be suitable pharmacologic strategies to attenuate SCI-induced CNP development by means of spinal and supraspinal neuroinflammation modulation.
Amoebicidal activity of cationic carbosilane dendrons derived with 4-phenylbutyric acid against Acanthamoeba griffini and Acanthamoeba polyphaga trophozoites and cysts
Authors: López-Barona P. , Verdú-Expósito C. , Martín-Pérez T. , Gómez-Casanova N. , Lozano-Cruz T. , Ortega P. , Gómez R. , Pérez-Serrano J. , Heredero-Bermejo I.
Published: September 2022

Amoebae from the genus Acanthamoeba are important pathogens responsible for severe illnesses in humans such as Acanthamoeba keratitis and granulomatous amoebic encephalitis. In the last few decades, AK diagnoses have steadily increased. Most patients suffering from AK were contact lens users and the infection was related to poor hygiene. However, therapy is not yet well established, and treatments may last for several months due to resistance. Moreover, these treatments have been described to generate cytotoxicity. Therefore, there is an urgent need to develop new therapeutic strategies against AK. In this study, the amoebicidal activity of different generation cationic carbosilane dendrons derived with 4-phenylbutyric acid was demonstrated against Acanthamoeba polyphaga and Acanthamoeba griffini trophozoites and cysts. In addition, the combination of chlorhexidine digluconate and the most effective dendron (ArCO2G2(SNMe3I)4) showed an in vitro effect against Acanthamoeba trophozoites and cysts, reducing the minimal trophozoite amoebicidal concentration as well as concentrations with cysticidal activity.
Cognitive load affects early processes involved in mentalizing robot behaviour
Authors: Spatola Nicolas , Marchesi Serena , Wykowska Agnieszka
Published: September 2022

How individuals interpret robots’ actions is a timely question in the context of the general approach to increase robot’s presence in human social environment in the decades to come. Facing robots, people might have a tendency to explain their actions in mentalistic terms, granting them intentions. However, how default or controllable this process is still under debate. In four experiments, we asked participants to choose between mentalistic (intentional) and mechanistic (non-intentional) descriptions to describe depicted actions of a robot in various scenarios. Our results show the primacy of mentalistic descriptions that are processed faster than mechanistic ones (experiment 1). This effect was even stronger under high vs low cognitive load when people had to decide between the two alternatives (experiment 2). Interestingly, while there was no effect of cognitive load at the later stages of the processing arguing for controllability (experiment 3), imposing cognitive load on participants at an early stage of observation resulted in a faster attribution of mentalistic properties to the robot (experiment 4). We discuss these results in the context of the idea that social cognition is a default system.
Xanthohumol exerts anti-inflammatory effects in an in vitro model of mechanically stimulated cementoblasts
Authors: Niederau Christian , Bhargava Shruti , Schneider-Kramman Rebekka , Jankowski Joachim , Craveiro Rogerio B. , Wolf Michael
Published: September 2022

Xanthohumol (XN) is a prenylated plant polyphenol that naturally occurs in hops and its products, e.g. beer. It has shown to have anti-inflammatory and angiogenesis inhibiting effects and it prevents the proliferation of cancer cells. These effects could be in particular interesting for processes within the periodontal ligament, as previous studies have shown that orthodontic tooth movement is associated with a sterile inflammatory reaction. Based on this, the study evaluates the anti-inflammatory effect of XN in cementoblasts in an in vitro model of the early phase of orthodontic tooth movement by compressive stimulation. XN shows a concentration-dependent influence on cell viability. Low concentrations between 0.2 and 0.8 µM increase viability, while high concentrations between 4 and 8 µM cause a significant decrease in viability. Compressive force induces an upregulation of pro-inflammatory gene (Il-6, Cox2, Vegfa) and protein (IL-6) expression. XN significantly reduces compression related IL-6 protein and gene expression. Furthermore, the expression of phosphorylated ERK and AKT under compression was upregulated while XN re-established the expression to a level similar to control. Accordingly, we demonstrated a selective anti-inflammatory effect of XN in cementoblasts. Our findings provide the base for further examination of XN in modulation of inflammation during orthodontic therapy and treatment of periodontitis.
Acceptor defects in polycrystalline Ge layers evaluated using linear regression analysis
Authors: Imajo Toshifumi , Ishiyama Takamitsu , Nozawa Koki , Suemasu Takashi , Toko Kaoru
Published: September 2022

Polycrystalline Ge thin films have recently attracted renewed attention as a material for various electronic and optical devices. However, the difficulty in the Fermi level control of polycrystalline Ge films owing to their high density of defect-induced acceptors has limited their application in the aforementioned devices. Here, we experimentally estimated the origin of acceptor defects by significantly modulating the crystallinity and electrical properties of polycrystalline Ge layers and investigating their correlation. Our proposed linear regression analysis method, which is based on deriving the acceptor levels and their densities from the temperature dependence of the hole concentration, revealed the presence of two different acceptor levels. A systematic analysis of the effects of grain size and post annealing on the hole concentration suggests that deep acceptor levels (53–103 meV) could be attributed to dangling bonds located at grain boundaries, whereas shallow acceptor levels (< 15 meV) could be attributed to vacancies in grains. Thus, this study proposed a machine learning-based simulation method that can be widely applied in the analysis of physical properties, and can provide insights into the understanding and control of acceptor defects in polycrystalline Ge thin films.
ICOS is upregulated on T cells following radiation and agonism combined with radiation results in enhanced tumor control
Authors: Blair Tiffany , Baird Jason , Bambina Shelly , Kramer Gwen , Gostissa Monica , Harvey Christopher J. , Gough Michael J. , Crittenden Marka R.
Published: September 2022

Multiple preclinical studies have shown improved outcomes when radiation therapy is combined with immune modulating antibodies. However, to date, many of these promising results have failed to translate to successful clinical studies. This led us to explore additional checkpoint and co-stimulatory pathways that may be regulated by radiation therapy. Here, we demonstrate that radiation increases the expression of inducible T cell co-stimulator (ICOS) on both CD4 and CD8 T cells in the blood following treatment. Moreover, when we combined a novel ICOS agonist antibody with radiation we observed durable cures across multiple tumor models and mouse strains. Depletion studies revealed that CD8 T cells were ultimately required for treatment efficacy, but CD4 T cells and NK cells also partially contributed to tumor control. Phenotypic analysis showed that the combination therapy diminished the increased infiltration of regulatory T cells into the tumor that typically occurs following radiation alone. Finally, we demonstrate in a poorly immunogenic pancreatic tumor model which is resistant to combined radiation and anti-PD1 checkpoint blockade that the addition of this novel ICOS agonist antibody to the treatment regimen results in tumor control. These findings identify ICOS as part of a T cell pathway that is modulated by radiation and targeting this pathway with a novel ICOS antibody results in durable tumor control in preclinical models.
A comprehensive evaluation model for the intelligent automobile cockpit comfort
Authors: Yang Jianjun , Xing Shanshan , Chen Yimeng , Qiu Ruizhi , Hua Chunrong , Dong Dawei
Published: September 2022

Under the background of automobile intelligence, cockpit comfort is receiving increasing attention, and intelligent cockpit comfort evaluation is especially important. To study the intelligent cockpit comfort evaluation model, this paper divides the intelligent cockpit comfort influencing factors into four factors and influencing indices: acoustic environment, optical environment, thermal environment, and human–computer interaction environment. The subjective and objective evaluation methods are used to obtain the subjective weights and objective weights of each index by the analytic hierarchy process and the improved entropy weight method, respectively. On this basis, the weights are combined by using the game theory viewpoint to obtain a comprehensive evaluation model of the intelligent automobile cockpit comfort. Then, the cloud algorithm was used to generate the rank comprehensive cloud model of each index for comparison. The research results found that among the four main factors affecting the intelligent automobile cockpit comfort, human–computer interaction has the greatest impact on it, followed by the thermal environment, acoustic environment, and optical environment. The results of the study can be used in intelligent cockpit design to make intelligent cockpits provide better services for people.
A flexible MRI coil based on a cable conductor and applied to knee imaging
Authors: Wang Bili , Siddiq Syed S. , Walczyk Jerzy , Bruno Mary , Khodarahmi Iman , Brinkmann Inge M. , Rehner Robert , Lakshmanan Karthik , Fritz Jan , Brown Ryan
Published: September 2022

Flexible radiofrequency coils for magnetic resonance imaging (MRI) have garnered attention in research and industrial communities because they provide improved accessibility and performance and can accommodate a range of anatomic postures. Most recent flexible coil developments involve customized conductors or substrate materials and/or target applications at 3 T or above. In contrast, we set out to design a flexible coil based on an off-the-shelf conductor that is suitable for operation at 0.55 T (23.55 MHz). Signal-to-noise ratio (SNR) degradation can occur in such an environment because the resistance of the coil conductor can be significant with respect to the sample. We found that resonating a commercially available RG-223 coaxial cable shield with a lumped capacitor while the inner conductor remained electrically floating gave rise to a highly effective “cable coil.” A 10-cm diameter cable coil was flexible enough to wrap around the knee, an application that can benefit from flexible coils, and had similar conductor loss and SNR as a standard-of-reference rigid copper coil. A two-channel cable coil array also provided good SNR robustness against geometric variability, outperforming a two-channel coaxial coil array by 26 and 16% when the elements were overlapped by 20–40% or gapped by 30–50%, respectively. A 6-channel cable coil array was constructed for 0.55 T knee imaging. Incidental cartilage and bone pathologies were clearly delineated in T1- and T2-weighted turbo spin echo images acquired in 3–4 min with the proposed coil, suggesting that clinical quality knee imaging is feasible in an acceptable examination timeframe. Correcting for T1, the SNR measured with the cable coil was approximately threefold lower than that measured with a 1.5 T state-of-the-art 18-channel coil, which is expected given the threefold difference in main magnetic field strength. This result suggests that the 0.55 T cable coil conductor loss does not deleteriously impact SNR, which might be anticipated at low field.
3D proximal tubule-on-chip model derived from kidney organoids with improved drug uptake
Authors: Aceves Jeffrey O. , Heja Szilvia , Kobayashi Kenichi , Robinson Sanlin S. , Miyoshi Tomoya , Matsumoto Takuya , Schäffers Olivier J. M. , Morizane Ryuji , Lewis Jennifer A.
Published: September 2022

Three-dimensional, organ-on-chip models that recapitulate kidney tissue are needed for drug screening and disease modeling. Here, we report a method for creating a perfusable 3D proximal tubule model composed of epithelial cells isolated from kidney organoids matured under static conditions. These organoid-derived proximal tubule epithelial cells (OPTECs) are seeded in cylindrical channels fully embedded within an extracellular matrix, where they form a confluent monolayer. A second perfusable channel is placed adjacent to each proximal tubule within these reusable multiplexed chips to mimic basolateral drug transport and uptake. Our 3D OPTEC-on-chip model exhibits significant upregulation of organic cation (OCT2) and organic anion (OAT1/3) transporters, which leads to improved drug uptake, compared to control chips based on immortalized proximal tubule epithelial cells. Hence, OPTEC tubules exhibit a higher normalized lactate dehydrogenase (LDH) release, when exposed to known nephrotoxins, cisplatin and aristolochic acid, which are diminished upon adding OCT2 and OAT1/3 transport inhibitors. Our integrated multifluidic platform paves the way for personalized kidney-on-chip models for drug screening and disease modeling.
Neurotensin analogs by fluoroglycosylation at Nω-carbamoylated arginines for PET imaging of NTS1-positive tumors
Authors: Schindler Lisa , Wohlfahrt Katrin , Gluhacevic von Krüchten Lara , Prante Olaf , Keller Max , Maschauer Simone
Published: September 2022

Since neurotensin (NT) receptors of subtype-1 (NTS1) are expressed by different types of malignant tumors, such as pancreatic adenocarcinoma, colorectal and prostate carcinoma, they represent an interesting target for tumor imaging by positron emission tomography (PET) and endoradiotherapy. Previously reported neurotensin-derived NTS1 ligands for PET were radiolabeled by modification and prelongation of the N-terminus of NT(8–13) peptide analogs. In this study, we demonstrate that modifying Arg8 or Arg9 by Nω-carbamoylation and subsequent fluoroglycosylation provides a suitable approach for the development of NT(8–13) analogs as PET imaging agents. The Nω-carbamoylated and fluoroglycosylated NT(8–13) analogs retained high NTS1 affinity in the one-digit nanomolar range as well as high metabolic stability in vitro. In vivo, the radioligand [18F]21 demonstrated favorable biokinetics in HT-29 tumor-bearing mice with high tumor uptake and high retention, predominantly renal clearance, and fast wash-out from blood and other non-target tissues. Therefore, [18F]21 has the potential to be used as molecular probe for the imaging of NTS1-expressing tumors by PET.
Effect of acetylcholine deficiency on neural oscillation in a brainstem-thalamus-cortex neurocomputational model related with Alzheimer’s disease
Authors: Yang Hao , Yang XiaoLi , Yan SiLu , Sun ZhongKui
Published: September 2022

Previous works imply that involving brainstem in neuropathological studies of Alzheimer’s disease (AD) is of clinically significant. This work constructs a comprehensive neural mass model for cholinergic neuropathogenesis that involves brainstem, thalamus and cortex, wherein how acetylcholine deficiency in AD affects neural oscillation of the model output is systematically explored from the perspective of neurocomputation. By decreasing synapse connectivity parameters in direct cholinergic pathway from brainstem to thalamus or in indirect glutamatergic synapse pathway from cortex to brainstem to mimic the pathological condition of reduced acetylcholine release in patients with AD, the property of neural oscillation in this model is numerically investigated by means of power spectrum in frequency domain and amplitude distribution in time domain. Simulated results demonstrate that decreasing synapse connectivity whether in the direct cholinergic pathway or in the indirect glutamatergic synapse pathway can alter the neural oscillation significantly in three aspects: it induces an obvious decrease of dominant frequency; it leads to a degraded rhythmic activity in the alpha frequency band as well as an enhanced rhythmic activity in the theta frequency band; it results in reduced oscillation amplitude of the model output. These results are agreement with the characteristic of electrophysiological EEG measurement recorded in AD, especially support the hypothesis that cholinergic deficiency is a promising pathophysiological origin of EEG slowing in AD. Our analysis indicates that targeting the cholinergic system may have potential prospects in early diagnosis and treatment of AD.
A machine learning analysis of COVID-19 mental health data
Authors: Rezapour Mostafa , Hansen Lucas
Published: September 2022

In late December 2019, the novel coronavirus (Sars-Cov-2) and the resulting disease COVID-19 were first identified in Wuhan China. The disease slipped through containment measures, with the first known case in the United States being identified on January 20th, 2020. In this paper, we utilize survey data from the Inter-university Consortium for Political and Social Research and apply several statistical and machine learning models and techniques such as Decision Trees, Multinomial Logistic Regression, Naive Bayes, k-Nearest Neighbors, Support Vector Machines, Neural Networks, Random Forests, Gradient Tree Boosting, XGBoost, CatBoost, LightGBM, Synthetic Minority Oversampling, and Chi-Squared Test to analyze the impacts the COVID-19 pandemic has had on the mental health of frontline workers in the United States. Through the interpretation of the many models applied to the mental health survey data, we have concluded that the most important factor in predicting the mental health decline of a frontline worker is the healthcare role the individual is in (Nurse, Emergency Room Staff, Surgeon, etc.), followed by the amount of sleep the individual has had in the last week, the amount of COVID-19 related news an individual has consumed on average in a day, the age of the worker, and the usage of alcohol and cannabis.
Identification of noble candidate gene associated with sensitivity to phytotoxicity of etofenprox in soybean
Authors: Kim Ji-Min , Ha Jungmin , Shin Ilseob , Lee Ju Seok , Park Jung-Ho , Lee Jeong-Dong , Kang Sungteag
Published: September 2022

Phytotoxicity is caused by the interaction between plants and a chemical substance, which can cause critical damage to plants. Understanding the molecular mechanism underlying plant-chemical interactions is important for managing pests in crop fields and avoiding plant phytotoxicity by insecticides. The genomic region responsible for sensitivity to phytotoxicity of etofenprox (PE), controlled by a single dominant gene, was detected by constructing high density genetic map using recombination inbred lines (RILs) in soybean. The genomic region of ~ 80 kbp containing nine genes was identified on chromosome 16 using a high-throughput single nucleotide polymorphism (SNP) genotyping system using two different RIL populations. Through resequencing data of 31 genotypes, nonsynonymous SNPs were identified in Glyma.16g181900, Glyma.16g182200, and Glyma.16g182300. The genetic variation in Glyma.16g182200, encoding glycosylphosphatidylinositol-anchored protein (GPI-AP), caused a critical structure disruption on the active site of the protein. This structural variation of GPI-AP may change various properties of the ion channels which are the targets of pyrethroid insecticide including etofenprox. This is the first study that identifies the candidate gene and develops SNP markers associated with PE. This study would provide genomic information to understand the mechanism of phytotoxicity in soybean and functionally characterize the responsive gene.
A fine construction method of urban road DEM considering road morphological characteristics
Authors: Tao Yu , Tian Lei , Wang Chun , Dai Wen , Xu Yan
Published: September 2022

Urban road DEM is not only an important basic geographic information data of the city, but also an important element to describe and express the urban topography, and it is an indispensable part of the construction of the smart digital city, urban planning and urban surface process simulation. Previous methods for constructing urban road DEMs do not sufficiently consider the actual morphological characteristics of urban roads, and morphological distortion is evident in the expression of urban roads, seriously affecting the application of urban rainfall flood simulation and urban pipe network design. In response to these problems, this study proposed a considering morphological characteristics fine (CMCF) method of urban road DEM construction, selected a typical urban road area in the Jianye District of Nanjing City in China as the study area, used the 1:500 digital line graphic as data source, hierarchized roads in accordance with different morphological characteristics from the perspective of DEM construction, constructed the corresponding DEMs, and finally merged all levels of road DEMs to produce a complete high-precision urban road DEM. Results showed that the DEM constructed using the CMCF method not only exhibited higher elevation accuracy than the urban road DEM constructed using previous methods, i.e., inverse distance weighting (IDW) and triangulated irregular network (TIN) methods, with a mean error and a root-mean-square error of 0.015 and 0.060, respectively, but it can also accurately express the spatial element composition form and road morphological characteristics of urban roads, avoiding the distorted expression of road morphological characteristics. This study can provide a reference for a new DEM construction method and data support for smart digital city construction and urban surface simulation.
Structural parameter variation working on the performance of anti-uplift multibell underreamed anchors
Authors: Chen Chen , Xia Yuanyou , Lin Manqing , Ni Qing
Published: September 2022

The structural parameters of multibell underreamed anchors play a crucial role in anchoring performance. The parameters of multibell underreamed anchor investigations are helpful when exploring optimized anchor structures. Based on the results of small-scale physical modelling tests, two types of multibell underreamed anchors were adopted under vertical uplifting loads. Numerical investigations were employed to study the effect of bell spacing, underream structure and bell dimension on the ultimate uplift bearing capacity. After an analysis of the anchorage mechanism, the anchoring efficiency was evaluated by the anchoring force provided by the unit concrete usage of the anchor, and the structural parameter λ equal to the surface area ratios of the expanded bell cone to the straight shaft between bells was defined. Then, the anchoring efficiency optimized structural parameters were presented. An analysis of model tests and simulation results showed that compared to concave bell surfaces, the convex shape could enhance the ultimate bearing capacity of a multibell underreamed anchor. There is an optimal value for the spacing of neighbouring bells, and there are three models of mechanisms for multibell anchors pulling out. When λ ∈ [1, 1.8], the multibell anchors can perform most efficiently to achieve their structural advantages.
Retro-2 alters Golgi structure
Authors: Yue Xihua , Gim Bopil , Zhu Lianhui , Tan Chuanting , Qian Yi , Graham Morven , Liu Xinran , Lee Intaek
Published: September 2022

Retro-2 directly interacts with an ER exit site protein, Sec16A, inhibiting ER exit of a Golgi tSNARE, Syntaxin5, which results in rapid re-distribution of Syntaxin5 to the ER. Recently, it was shown that SARS-CoV-2 infection disrupts the Golgi apparatus within 6–12 h, while its replication was effectively inhibited by Retro-2 in cultured human lung cells. Yet, exactly how Retro-2 may influence ultrastructure of the Golgi apparatus have not been thoroughly investigated. In this study, we characterized the effect of Retro-2 treatment on ultrastructure of the Golgi apparatus using electron microscopy and EM tomography. Our initial results on protein secretion showed that Retro-2 treatment does not significantly influence secretion of either small or large cargos. Ultra-structural study of the Golgi, however, revealed rapid accumulation of COPI-like vesicular profiles in the perinuclear area and a partial disassembly of the Golgi stack under electron microscope within 3–5 h, suggesting altered Golgi organization in these cells. Retro-2 treatment in cells depleted of GRASP65/55, the two well-known Golgi structural proteins, induced complete and rapid disassembly of the Golgi into individual cisterna. Taken together, these results suggest that Retro-2 profoundly alters Golgi structure to a much greater extent than previously anticipated.
Wearable accelerometer-derived physical activity and incident disease
Authors: Khurshid Shaan , Weng Lu-Chen , Nauffal Victor , Pirruccello James P. , Venn Rachael A. , Al-Alusi Mostafa A. , Benjamin Emelia J. , Ellinor Patrick T. , Lubitz Steven A.
Published: September 2022

Physical activity is regarded as favorable to health but effects across the spectrum of human disease are poorly quantified. In contrast to self-reported measures, wearable accelerometers can provide more precise and reproducible activity quantification. Using wrist-worn accelerometry data from the UK Biobank prospective cohort study, we test associations between moderate-to-vigorous physical activity (MVPA) – both total MVPA minutes and whether MVPA is above a guideline-based threshold of ≥150 min/week—and incidence of 697 diseases using Cox proportional hazards models adjusted for age, sex, body mass index, smoking, Townsend Deprivation Index, educational attainment, diet quality, alcohol use, blood pressure, anti-hypertensive use. We correct for multiplicity at a false discovery rate of 1%. We perform analogous testing using self-reported MVPA. Among 96,244 adults wearing accelerometers for one week (age 62 ± 8 years), MVPA is associated with 373 (54%) tested diseases over a median 6.3 years of follow-up. Greater MVPA is overwhelmingly associated with lower disease risk (98% of associations) with hazard ratios (HRs) ranging 0.70–0.98 per 150 min increase in weekly MVPA, and associations spanning all 16 disease categories tested. Overall, associations with lower disease risk are enriched for cardiac (16%), digestive (14%), endocrine/metabolic (10%), and respiratory conditions (8%) (chi-square p < 0.01). Similar patterns are observed using the guideline-based threshold of ≥150 MVPA min/week. Some of the strongest associations with guideline-adherent activity include lower risks of incident heart failure (HR 0.65, 95% CI 0.55–0.77), type 2 diabetes (HR 0.64, 95% CI 0.58–0.71), cholelithiasis (HR 0.61, 95% CI 0.54–0.70), and chronic bronchitis (HR 0.42, 95% CI 0.33–0.54). When assessed within 456,374 individuals providing self-reported MVPA, effect sizes for guideline-adherent activity are substantially smaller (e.g., heart failure HR 0.84, 95% CI 0.80–0.88). Greater wearable device-based physical activity is robustly associated with lower disease incidence. Future studies are warranted to identify potential mechanisms linking physical activity and disease, and assess whether optimization of measured activity can reduce disease risk.
Functionally diverse microbial communities show resilience in response to a record-breaking rain event
Authors: Walker Jordan R , Woods Alaina C , Pierce Mary K , Steichen Jamie L , Quigg Antonietta , Kaiser Karl , Labonté Jessica M
Published: September 2022

Estuaries provide many ecosystem services and host a majority of the world’s population. Here, the response of microbial communities after a record-breaking flood event in a highly urbanized estuary was followed. Hurricane Harvey (hereafter Harvey) was a category 4 hurricane that made landfall on the Texas coast in 2017 and lashed the Houston area with 1.4–1.7 × 1010 m3 of rainfall, disrupting the natural gradients of nutrients and salinity. Here, we utilized metagenomics to analyze how Harvey altered the microbial community of Galveston Bay over five weeks following the storm. We hypothesized that the community would shift from a marine dominated community to that of a terrestrial and freshwater origin. We found that following the storm there were changes in the distribution of species with specific metabolic capacities, such as Cyanobacteria, enriched in oxygenic photosynthesis and nitrogen fixation genes, as well as Verrucomicrobia and Betaproteobacteria, with high prevalence of the SOX complex and anoxygenic photosynthesis genes. On the other hand, dominant members of the community with more diverse metabolic capabilities showed less fluctuations in their distribution. Our results highlight how massive precipitation disturbances can alter microbial communities and how the coalescence of diverse microorganisms creates a resilient community able to maintain ecosystem services even when the system is in an altered state.
In situ synthesis of reagents in paper-based analytical devices using paper stacking
Authors: Chauhan Ayushi , Mittal Mohet , Toley Bhushan J.
Published: September 2022

This article demonstrates a technique for the in situ synthesis of an insoluble reagent in microfluidic paper analytical devices (μPADs). We demonstrate it's application in distance-based chloride ion measurement using paper stacking.
Relative capability demonstration of luminescent Al-MOFs for ideal detection of nitroaromatic explosives
Authors: Awasthi Gaurav , Kumar Pawan
Published: September 2022

Here, we have synthesised three luminescent Al MOFs i.e., Al-NTP, Al-FDA, and Al-TDA, using common metal ions (AlCl3·6H2O) with different carboxylic acid organic linkers (5-nitroisophthalic acid, 2,5-furan dicarboxylic acid, and 2,5-thiophenedicarboxylic acid) in a semi-aqueous medium.
COF-based nanoreactors for click-activated prodrug delivery and precise anti-vascular therapy
Authors: Wang Peng , Li Mili , Zhou Fang , Yang Yue , Yin Xia , Zhang Xiao-Bing , Song Guosheng
Published: September 2022

Nanoconfined biorthogonal reaction in defined COF cages boosts the click efficiency of prodrug activation and enhances anti-vascular therapy.
Rapid microwave-assisted synthesis of Ni2P nanosheets from black phosphorus
Authors: Zhang Qicheng , Liang Junmei , Hu Xuewen , Cai An , Zhu Yuanzhi , Peng Wenchao , Li Yang , Zhang Fengbao , Fan Xiaobin
Published: September 2022

The microwave-induced local energy confinement effect makes black phosphorus nanosheets react with Ni2+ confined on/around the 2D surface and tend to topochemical conversion to thermodynamically unstable two-dimensional Ni2P.
A palladium polyaniline complex: a simple and efficient catalyst for batch and flow Suzuki–Miyaura cross-couplings
Authors: Zhang Dongliang , Wu Fusong , Wan Zhijian , Wang Yichun , He Xuan , Guo Bing , You Hengzhi , Chen Fen-Er
Published: September 2022

A novel palladium polyaniline complex (Pd@PANI) was synthesized via a one-pot method using a low concentration of hydrogen peroxide (3 wt%) as a mild oxidant.
Photo-induced metal-free dehydrogenative N–N homo-coupling
Authors: Balakrishna Bugga , Mossin Susanne , Kramer Søren
Published: September 2022

An operationally simple protocol for dehydrogenative N–N homocoupling is reported.
Diverse reactivity of an iron–aluminium complex with substituted pyridines
Authors: Gorgas Nikolaus , White Andrew J. P. , Crimmin Mark R.
Published: September 2022

The reaction of an Fe–Al complex with an array of substituted pyridines is reported.
On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands
Authors: Bazargan Maryam , Mirzaei Masoud , Hamid Abdul Samad , Kafshdar Zahra Heydaralizadeh , Ziaekhodadadian Hoda , Momenzadeh Elham , Mague Joel T. , Gil Diego M. , Gomila Rosa M. , Frontera Antonio
Published: September 2022

Using N- and O-donor ligands in a mixed-ligand system, three new coordination complexes have been X-ray characterized, exhibiting strong π–π stacking interactions.
High-pressure transformations of CaC2O5– a full structural trend from double [CO3] triangles through the isolated group of [CO4] tetrahedra to framework and layered structures
Authors: Sagatova Dinara N. , Gavryushkin Pavel N. , Sagatov Nursultan E. , Banaev Maksim V.
Published: September 2022

Usingab initiocrystal structure prediction technique, we reveal novel structure of CaC2O5, Ca-pyrocarbonate with symmetryCc, which stabilizes at 10 GPa. This structure is characterized by the isolated [C2O5] groups formed by polymerization of two [CO3] triangles.
Nano-crystal melting calculation for Al, Cu and Ag considering macro-crystal surface melting
Authors: Jin Bo , Liu Shuhong , Du Yong , Kaptay George , Fu Taibai
Published: September 2022

The surface melting of macro-crystals and melting of nano-crystals for Al, Cu and Ag pure components are modeled in comparison with literature data using a home-made code (CalNaPhad).
Unraveling Ce3+ detection at the surface of ceria nanopowders by UPS analysis
Authors: Cardenas Luis , Molinet-Chinaglia Clément , Loridant Stéphane
Published: September 2022

A novel and controlled methodology combining UPS/XPS spectroscopies intended to determine the electronic state at the surface of ceria nanopowders.
Polyanionic cyano-fullerides for CO2 capture: a DFT prediction
Authors: Anila Sebastian , Suresh Cherumuttathu H.
Published: September 2022

DFT predicts the formation of imidazolium cation-polyanionic cyano-fulleride complexes as potent CO2 capturing agents.
Low quantum efficiency of μ-oxo iron bisporphyrin photocatalysts explained with femtosecond M-edge XANES
Authors: Sye Kori M. , Leahy Clare A. , Vura-Weis Josh
Published: September 2022

Transient optical absorption and M-edge XANES identifies the predominant formation of an iron(iii) ion pair state over the desired iron(ii)/iron(iv)-oxo state as the source of poor photon-to-product yield in μ-oxo iron bisporphyrin photocatalysts.
Metal ion induced dual switchable dielectric and luminescent properties in hybrid halides
Authors: Liu Jia , Han Li-Jun , Shao Ting , Su Chang-Yuan , Chen Ming , Huang Pei-Zhi , Jia Qiang-Qiang , Fu Da-Wei , Lu Hai-Feng
Published: September 2022

By regulating metal halides, four organic–inorganic hybrid compounds were synthesized, compound 4 exhibited luminescence and dual-switchable dielectric properties, which could achieve applications in sensor devices.
The effect of the hydroxyl group position on the electrochemical reactivity and product selectivity of butanediol electro-oxidation
Authors: Sun Shengnan , Dai Chencheng , Sun Libo , Seh Zhi Wei , Sun Yuanmiao , Fisher Adrian , Wang Xin , Xu Zhichuan J.
Published: September 2022

In the electro-oxidation of butanediols, closer hydroxyl groups lead to higher electrochemical reactivities. Vicinal hydroxyl groups facilitate the formation of a carboxylate group, and the following C–C bond cleavage.
Eco-friendly electrolytes via a robust bond design for high-energy Li metal batteries
Authors: Huang Yiqiang , Li Ruhong , Weng Suting , Zhang Haikuo , Zhu Chunnan , Lu Di , Sun Chuangchao , Huang Xiaoteng , Deng Tao , Fan Liwu , Chen Lixin , Wang Xuefeng , Fan Xiulin
Published: September 2022

This work proposes a Si–O bond strategy to enhance the electrochemical stability of solvents, pioneering the direction of less-fluorinated electrolytes for eco-friendly and practical Li metal batteries.
Highly tailored gap-like structure for excellent thermoelectric performance
Authors: Xu Xiao , Huang Yi , Liu Xixi , Jia Baohai , Cui Juan , He Ran , Wang Jinghan , Luo Yiyuan , Nielsch Kornelius , He Jiaqing
Published: September 2022

A pioneering regulation was offered to tune the structural density and size in gap-like Sb2Te3(GeTe)n for excellent thermoelectric performance.
A high-throughput effector screen identifies a novel small molecule scaffold for inhibition of ten-eleven translocation dioxygenase 2
Authors: Palei Shubhendu , Weisner Jörn , Vogt Melina , Gontla Rajesh , Buchmuller Benjamin , Ehrt Christiane , Grabe Tobias , Kleinbölting Silke , Müller Matthias , Clever Guido H. , Rauh Daniel , Summerer Daniel
Published: September 2022

TET dioxygenases are the erasers of 5-methylcytosine in mammalian DNA. We report a high-throughput screen and identify a low micromolar TET2 inhibitor. Computational studies suggest that the inhibitor uses a novel competitive binding mode.
Colorimetric determination of biothiols with AuNPs@MoS2 NSs as a peroxidase mimetic enzyme
Authors: Shi Rui , Yang Jin , Cheng Shiqi , Qin Shangying , Huang Li , Wang Yilin , Xu Yuanjin
Published: September 2022

The synthesis of AuNPs@MoS2 NSs was achieved and the sensing of biothiols was carried out using AuNPs@MoS2 NSs as enzyme mimics.
Dual-mode nanophotonic upconversion oxygen sensors
Authors: Heydari Esmaeil , AmirAhmadi Javad , Ghazyani Nahid , Bai Gongxun , Zare-Behtash Hossein , MajlesAra MohammadHossein
Published: September 2022

Development of a 980 nm-excitable oxygen sensor based on time-resolved phosphorescence spectroscopy by doping NaYF4:Yb3+,Tm3+ upconversion nanoparticles in the PtTFPP-PS oxygen-sensitive matrix.
Grazing incidence X-Ray diffraction: identifying the dominant facet in copper foams that electrocatalyze the reduction of carbon dioxide to formate
Authors: Ahn Steven T. , Sen Sujat , Palmore G. Tayhas R.
Published: September 2022

GIXRD is used to determine the relative ratio of facets in porous electrocatalysts, thus providing a general technique for evaluating how the surface faceting affects product selectivity for CO2 conversion: (left) Bragg–Brentano vs. (right) GIXRD
Spatial magnetic imaging of non-axially symmetric vortex domains in cylindrical nanowire by transmission X-ray microscopy
Authors: Fernandez-Roldan Jose A. , Bran Cristina , Asenjo Agustina , Vázquez Manuel , Sorrentino Andrea , Ferrer Salvador , Chubykalo-Fesenko Oksana , del Real Rafael P.
Published: September 2022

By means of TXM, XMCD and modelling we determined the chirality and polarity of non-axially symmetric vortex structures in a CoNi/Ni multisegmented cylindrical nanowire, and a new 3D domain wall that is formed between vortices with opposite chirality.
Expedient synthesis and ring-opening metathesis polymerization of pyridinonorbornenes
Authors: Hancock Sarah N. , Yuntawattana Nattawut , Valdez Sara M. , Michaudel Quentin
Published: September 2022

Pyridinonorbornenes, a unique family of ROMP monomers, were synthesized via the intermediacy of 2,3-pyridynes. Modulation of the steric hindrance about the nitrogen allowed a living ROMP process and the production of polymers with high Tg and Td.
Synthesis and antibacterial activity studies in vitro of indirubin-3′-monoximes
Authors: Yang Fen-Fen , Shuai Ming-Shan , Guan Xiang , Zhang Mao , Zhang Qing-Qing , Fu Xiao-Zhong , Li Zong-Qin , Wang Da-Peng , Zhou Meng , Yang Yuan-Yong , Liu Ting , He Bin , Zhao Yong-Long
Published: September 2022

In this work, based on the unique scaffold of indirubin, we synthesized 29 indirubin-3′-monoximes and preliminarily evaluated their antibacterial activities, especially against S. aureus.
Growth of turbostratic stacked graphene using waste ferric chloride solution as a feedstock
Authors: Surinlert Piyaporn , Kokmat Phurida , Ruammaitree Akkawat
Published: September 2022

The growth of turbostratic stacked graphene using waste ferric chloride solution as a feedstock.
Collective variable discovery in the age of machine learning: reality, hype and everything in between
Authors: Bhakat Soumendranath
Published: September 2022

Data driven collective variable discovery methods to capture conformational dynamics in biological macromolecules.
Zinc dendrite suppression by a novel additive combination for rechargeable aqueous zinc batteries
Authors: Lin Gang , Zhou Xiaoliang , Liu Limin , Huang Di , Li Huangmin , Cui Xueyan , Liu Jing
Published: September 2022

The adsorption of the additives PEG-200 and BDA on elevated regions of the negative electrode surface shielded the local high current and avoided the “tip effect”, allowing uniform zinc deposition on the negatively charged surface.
Novel Schiff base iron(ii) phthalocyanine with composite MWCNTs on modified GCE: electrochemical sensor development for paracetamol
Authors: Mounesh  , Reddy K. R. Venugopala , Yuvaraja D. , Manriquez Juan M. , Lokesh K. S. , Amshumali M. K.
Published: September 2022

Paracetamol is one of the most commonly consumed medicines to deal with minor pain, body ache, headache, feveretc.It can also be used for getting temporary relief from arthritis pain.
Stable and reusable Ni-based nanoparticles for general and selective hydrogenation of nitriles to amines
Authors: Ma Zhuang , Chandrashekhar Vishwas G. , Zhou Bei , Alenad Asma M. , Rockstroh Nils , Bartling Stephan , Beller Matthias , Jagadeesh Rajenahally V.
Published: September 2022

Silica supported ultrasmall Ni-nanoparticles allow for general and selective hydrogenations of all kinds of nitriles to primary amines under mild conditions.
Correction: Nucleotide(s)-mediated simultaneous N, P co-doped reduced graphene oxide (N, P-rGO) porous nanohybrids as high-performance electrode materials for designing sustainable binder-free high-voltage (2.8 V) aqueous symmetric supercapacitors and electrochemical sensors
Authors: Ahmad Ikrar , Kumar Anil
Published: September 2022

Correction for ‘Nucleotide(s)-mediated simultaneous N, P co-doped reduced graphene oxide (N, P-rGO) porous nanohybrids as high-performance electrode materials for designing sustainable binder-free high-voltage (2.8 V) aqueous symmetric supercapacitors and electrochemical sensors’ by Ikrar Ahmad et al., Sustainable Energy Fuels, 2022, https://doi.org/10.1039/d2se00666a.
CdTe quantum dot-based self-supporting films with enhanced stability for flexible light-emitting devices
Authors: Wang Jin , Wang Li , Su Xueqiong , Gao Dongwen , Yu Huimin
Published: September 2022

Self-supporting films with enhanced stability are composed of polymer doped CQDs and SiO2 which have a significant application prospect in flexible light-emitting devices.
2D non-carbide MXenes: an emerging material class for energy storage and conversion
Authors: Venkateshalu Sandhya , Shariq Mohammed , Chaudhari Nitin K. , Lee Kwangyeol , Grace Andrews Nirmala
Published: September 2022

This review provides a comprehensive overview of the synthesis, properties, applications, current challenges, and the prospects of non-carbide MXenes, viz., carbonitride and nitride MXenes.
Computational chemistry-assisted design of a non-fullerene acceptor enables 17.4% efficiency in high-boiling-point solvent processed binary organic solar cells
Authors: Cai Guilong , Chen Zeng , Li Tengfei , Xia Xinxin , Fu Yuang , Xu Luhang , Chi Weijie , Zhang Jianqi , Zhu Haiming , Zhan Xiaowei , Lu Xinhui
Published: September 2022

A new non-fullerene acceptor, namely BOEH-4Cl, was computational chemistry-assisted designed and synthesized. Paired with polymer donor PM6, the high-boiling-point solvent processed binary BOEH-4Cl-based OSCs exhibit a best efficiency of 17.4%.