bluuebunny/crossref_metadata_2025 huggingface dataset:
A hint for the obesity paradox and the link between obesity, perirenal adipose tissue and Renal Cell Carcinoma progression
Authors: Preza-Fernandes José , Passos Pedro , Mendes-Ferreira Miguel , Rodrigues Adriana R. , Gouveia Alexandra , Fraga Avelino , Medeiros Rui , Ribeiro Ricardo
Published: November 2022

Increasing evidence supports a role for local fat depots in cancer outcomes. Despite the robust positive association of obesity with renal cell carcinoma (RCCa) diagnosis, increased adiposity is inversely related to RCCa oncological outcomes. Here, we sought to ascertain whether imagiologically assessed local fat depots associate with RCCa progression and survival and account for this apparent paradox. A retrospective cohort of renal carcinoma patients elective for nephrectomy (n = 137) were included. Beyond baseline clinicopathological characteristics, computed tomography (CT)-scans at the level of renal hilum evaluated areas and densities of different adipose tissue depots (perirenal, subcutaneous, visceral) and skeletal muscle (erector spinae, psoas and quadratus lumborum muscles) were analyzed. Univariate and multivariable Cox proportional hazards models were estimated following empirical analysis using stepwise Cox regression. Age, visceral adipose tissue (VAT) area and body mass index (BMI) predicted tumour-sided perirenal fat area (R2 = 0.584), which presented upregulated UCP1 expression by 27-fold (P = 0.026) and smaller adipocyte areas, compared with subcutaneous depot. Multivariate analyses revealed that increased area of perirenal adipose tissue (PRAT) on the contralateral and tumour side associate with improved progression-free survival (HR = 0.3, 95CI = 0.1–0.8, P = 0.019) and overall survival (HR = 0.3, 95CI = 0.1–0.7, P = 0.009). PRAT measurements using CT, might become a possible tool, well correlated with other measures of obesity such as VAT and BMI, that will improve determination of obesity and contribute to assess the risk for disease progression and mortality in renal cancer patients. Present data supports the obesity paradox in RCCa, assumed that larger PRAT areas seem to protect from disease progression and death.
Inhibition of mTOR improves malnutrition induced hepatic metabolic dysfunction
Authors: Arvidsson Kvissberg Matilda E. , Hu Guanlan , Chi Lijun , Bourdon Celine , Ling Cino , ChenMi YueYing , Germain Kyla , van Peppel Ivo P. , Weise Linnea , Zhang Ling , Di Giovanni Valeria , Swain Nathan , Jonker Johan W. , Kim Peter , Bandsma Robert
Published: November 2022

Severe malnutrition accounts for half-a-million deaths annually in children under the age of five. Despite improved WHO guidelines, inpatient mortality remains high and is associated with metabolic dysfunction. Previous studies suggest a correlation between hepatic metabolic dysfunction and impaired autophagy. We aimed to determine the role of mTORC1 inhibition in a murine model of malnutrition-induced hepatic dysfunction. Wild type weanling C57/B6 mice were fed a 18 or 1% protein diet for two weeks. A third low-protein group received daily rapamycin injections, an mTORC1 inhibitor. Hepatic metabolic function was assessed by histology, immunofluorescence, gene expression, metabolomics and protein levels. Low protein-fed mice manifested characteristics of severe malnutrition, including weight loss, hypoalbuminemia, hypoglycemia, hepatic steatosis and cholestasis. Low protein-fed mice had fewer mitochondria and showed signs of impaired mitochondrial function. Rapamycin prevented hepatic steatosis, restored ATP levels and fasted plasma glucose levels compared to untreated mice. This correlated with increased content of LC3-II, and decreased content mitochondrial damage marker, PINK1. We demonstrate that hepatic steatosis and disturbed mitochondrial function in a murine model of severe malnutrition can be partially prevented through inhibition of mTORC1. These findings suggest that stimulation of autophagy could be a novel approach to improve metabolic function in severely malnourished children.
Host, technical, and environmental factors affecting QuantiFERON-TB Gold In-Tube performance in children below 5 years of age
Authors: Velasco-Arnaiz Eneritz , Batllori Marta , Monsonís Manuel , Valls Anna , Ríos-Barnes María , Simó-Nebot Sílvia , Gamell Anna , Fortuny Clàudia , Tebruegge Marc , Noguera-Julian Antoni
Published: November 2022

Interferon-gamma release assays performance can be impaired by host-related, technical and environmental factors, but data in young children are limited. We performed a cross-sectional study of children < 5 years-of-age at risk of tuberculosis (TB), using QuantiFERON-TB Gold In-Tube (QFT-GIT) assays. The impact of the following was evaluated: (i) host-related [age; hematological parameters; erythrocyte sedimentation rate (ESR); C-reactive protein (CRP); and tobacco smoke exposure (TSE) based on serum cotinine concentrations], (ii) technical (pre-analytical delay) and (iii) environmental factors (annual season; monthly temperatures). Of 204 children, 35 (17.2%) were diagnosed with latent TB infection or TB disease. QFT-GIT results were indeterminate in 14 (6.9%) patients. In multivariate analysis, younger age and higher ESR were associated with lower positive control responses (beta: 0.247, p = 0.002 and − 0.204, p = 0.007, respectively), and increasing age was associated with lower rates of indeterminate QFT-GIT results [OR (95% CI) 0.948 (0.903–0.996) per month, p = 0.035]. In children with positive QFT-GIT results, average monthly temperatures correlated with antigen responses (r = 0.453, p = 0.020); also, antigen responses were lower in winter than in other seasons (p = 0.027). Serum cotinine concentrations determined in a subgroup of patients (n = 41) indicated TSE in 36 (88%), positive control responses being lower in children with TSE (p = 0.034). In children < 5 years-of-age, young age, elevated ESR, temperature, annual season and TSE can affect the performance of QFT-GIT assays.
Pleiotropic functions of chordin gene causing drastic morphological changes in ornamental goldfish
Authors: Chen Hsiao-Chian , Wang Chenyi , Li Ing-Jia , Abe Gembu , Ota Kinya G.
Published: November 2022

Breeders and fanciers have established many peculiar morphological phenotypes in ornamental goldfish. Among them, the twin-tail and dorsal-finless phenotypes have particularly intrigued early and recent researchers, as equivalent morphologies are extremely rare in nature. These two mutated phenotypes appeared almost simultaneously within a short time frame and were fixed in several strains. However, little is known about how these two different mutations could have co-occurred during such a short time period. Here, we demonstrate that the chordin gene, a key factor in dorsal–ventral patterning, is responsible not only for the twin-tail phenotype but also for the dorsal-finless phenotype. Our F2 backcrossing and functional analyses revealed that the penetrance/expressivity of the dorsal-finless phenotype can be suppressed by the wild-type allele of chdS. Based on these findings, we propose that chdSwt may have masked the expression of the dorsal-finless phenotype, acting as a capacitor buffering gene to allow accumulation of genetic mutations. Once this gene lost its original function in the twin-tail goldfish lineages, the dorsal-finless phenotype could be highly expressed. Thus, this study experimentally demonstrates that the rapid genetic fixation of morphological mutations during a short domestication time period may be related to the robustness of embryonic developmental mechanisms.
Theoretical derivation and experimental investigation of dynamic displacement reconstruction based on data fusion for beam structures
Authors: Ren Liang , Zhang Qing , Fu Xing
Published: November 2022

Accurately obtaining the dynamic displacement response of the beam structure is of great significance. However, it is difficult to directly measure the dynamic displacement for large structures due to the low measurement accuracy or the installation difficulty of the sensor. Therefore, it is urgent to develop an indirect measurement method for displacement based on measurable physical quantities. Since acceleration and strain contain high and low frequency displacement information respectively, this paper proposes a displacement reconstruction algorithm that can realize the data fusion of the two, which is very helpful for the research of structural health monitoring. Firstly, the stochastic subspace identification (SSI) method is adopted to calculate the strain mode, and then the displacement is derived via the mode shape superposition method. Afterwards, the strain-derived displacement and acceleration are combined by the proposed algorithm to reconstruct the dynamic displacement. Both the numerical simulation and model experiment are conducted to verify the effectiveness of the proposed algorithm. Furthermore, the influences of noise, sampling rate ratio and measurement point position are analyzed. The results show that the proposed algorithm can accurately reconstruct both high-frequency and pseudo-static displacements, and the displacement reconstructed error in the model experiment is within 5%.
Influence of phenolic compounds on color formation at different stages of the VHP sugar manufacturing process
Authors: Cabral Mirelle Márcio Santos , de Almeida Yeda Medeiros Bastos , Andrade Samara Alvachian Cardoso , Caldas Celso Silva , de Freitas Jonnathan Duarte , Costa Clara Andrezza Crisóstomo Bezerra , Soletti João Inácio
Published: November 2022

Phenolic compounds are natural dyes contained in sugarcane juice and represent an important parameter in industrial processing, as they significantly affect the color formation of raw sugar. This study investigated the relationship between color formation and phenolic compounds during a Very High Polarization (VHP) sugar manufacturing process, in which the RB92579 genotype represents about 50% of the processed sugarcane. The products evaluated during the industrial processing of sugarcane were: raw juice, mixed juice, lime-treated juice, clarified juice, syrup, massecuite, and VHP sugar. The polyphenols catechin (CAT), chlorogenic acid (CGA), caffeic acid (CAF), vanillin (VAN), syringaldehyde (SYR), p-coumaric acid (p-COU), coumarin (CUM), and rutin (RUT) were quantified by high-performance liquid chromatography (HPLC). The highest concentrations of CGA and SYR were obtained from the sucrose crystallization product (massecuite), similarly to the parameters of color, total phenols and the total polyphenol content. CGA was the predominant polyphenol in the samples of clarified juice, syrup, massecuite and VHP sugar, with the latter presenting concentrations above 50%. The presence of phenolic compounds provided different indices of color during the production process. In this context, chlorogenic acid (CGA) was the compound that presented the most expressive results, contributing significantly to the formation of color in sugarcane processing products, which is a fact that has not yet been reported in the literature. The color of the VHP sugar crystals also had a positive relationship with the concentration of phenolics, with greater evidence for CGA.
Fracture fragment of the condyle determines the ramus height of the mandible in children with intracapsular condylar fractures treated conservatively
Authors: Yang Rui-cong , Cui Meng-juan , Zhou Hai-Hua , Lv Kun , Yang Rong-Tao , Li Zhi , Li Zu-Bing
Published: November 2022

This study aimed to explore and impart understanding of bone remodelling in children with intracapsular fractures treated conservatively. Records of children (less than 12 years), who sustained intracapsular fractures and treated conservatively, were retrieved consecutively for the period of March 2011 to February 2016. Data about age, gender, date of injury, dates of admission and discharge, mechanism of trauma, location and pattern of fracture, other mandibular fractures, treatment methods and time of review were recorded and analysed. Image dates of pre- and post-treatments, including date of review, were also recorded. A total of 22 patients complete their follow-up and show bone remodelling process. During their follow-up, all the displaced condylar fragments fused with the ramus stump at the displaced position. Regardless of the type of conservative procedure, both treatments cannot promote the spontaneous fracture reduction in patients with intracapsular condylar fractures. During follow-up, the absorption of the lateral process of the condyle after the closed treatment becomes close to the ‘horizontal absorption’, until the height (or articular surface) of the lateral condylar process dropped and aligned to the articular surface of the medial process. In children with intracapsular condylar fractures, the fracture fragment of the condyle determines the ramus height of the mandible. Closed treatment cannot restore the fracture fragment. If the height of the fracture fragments dropped remarkably, then open reduction and rigid internal fixation become more suitable.
Additive interaction of diabetes mellitus and chronic kidney disease in cancer patient mortality risk
Authors: Kim Seohyun , Kim Gyuri , Kim Jae Hyeon
Published: November 2022

We investigated the additive interaction of diabetes mellitus (DM) and chronic kidney disease (CKD) on the risk of mortality in cancer patients and evaluated the impact of diabetic kidney disease (DKD) on mortality in cancer patients with DM. We retrospectively analyzed 101,684 cancer patients. A multivariable Cox regression model was used for assessing mortality risk. Relative excess risk due to interaction (RERI), attributable proportion (AP), and synergy index (SI) were used to evaluate the additive interactive effect. The adjusted hazard ratio (aHR, 95%CI) for mortality was significant for those with CKD alone (1.53, 1.39–1.68), DM alone (1.25, 1.2–1.3), and both CKD and DM (1.99, 1.84–2.17) compared to non-CKD and non-DM cancer patients. The additive interaction between CKD and DM was significant (RERI 0.22[95%CI = 0.01–0.42], AP 0.11[0.01–0.21], SI 1.28[1.01–1.62]). Among cancer patients with DM, the presence of DKD raised the aHR for mortality (1.55, 95%CI = 1.33–1.81) compared to those without DKD. Coexistence of DM and CKD at the time of cancer diagnosis was significantly associated with an increased risk of mortality, and their interaction exerted an additive interactive effect on mortality. DKD was significantly associated with an increased risk of mortality in cancer patients with DM.
Research on highway traffic flow prediction model and decision-making method
Authors: Zhu Yuyu , Wu QingE , Xiao Na
Published: November 2022

In order to solve the problem of traffic congestion in a certain area, this paper develops a set of traffic optimization decision system. For analyzing the actual traffic conditions and calculating the traffic volume, density and traffic speed, a traffic prediction model is established and updated iteratively to modify the prediction model parameters. Based on this model, the congestion degree is estimated at the current road section, thus, an intelligent decision-making and the coordinated optimization methods are proposed. Moreover, this paper implements some application experiments on the isometric road of a three-intersection and obtains better prediction results of traffic density and traffic speed on the three-section highway. At the same time, compared with other existing prediction methods, the prediction model presented in this paper not only has higher accuracy, shorter prediction time and stronger anti-interference ability, but also has better effect on vehicle diversion. In addition, it also greatly relieves the traffic pressure on the road, maximizes the complementary advantages between intersections, and balances the good cooperation between each intersection.
Low intake of β carotene and dietary fiber from vegetables and fruits in patients with chronic kidney disease
Authors: Nakano Toshiaki , Tanaka Shigeru , Tsuruya Kazuhiko , Kitazono Takanari
Published: November 2022

Patients with chronic kidney disease (CKD) occasionally need to restrict their consumption of vegetables and fruits. However, recent evidence suggests that plant-based diets have beneficial effects in patients with CKD. We aimed to determine the sufficiency of β carotene and dietary fiber intake in patients with CKD. We conducted a cross-sectional study among 4476 patients registered in the Fukuoka Kidney Disease Registry (FKR) study, a Japanese prospective cohort study of patients with CKD. Data from 3545 patients were analyzed after excluding cases with insufficient information. We evaluated the relationship between CKD stages and the intake of vegetables and fruits. The intake of β carotene and dietary fiber in CKD stages was evaluated using analysis of covariance. As the CKD stage advanced, the intake of vegetables, green leafy vegetables, and fruits significantly decreased (P-value for all trends < 0.01). The intake of vegetables significantly decreased as the CKD stage advanced (P for trend < 0.01). After adjusting for confounding factors, the intake of β carotene and dietary fiber also decreased (both P < 0.01) as the CKD stage advanced. Patients with CKD had insufficient vegetable and fruit intake and a lack of β carotene and dietary fiber from vegetables and fruits.
Research on the mechanism of information infrastructure affecting industrial structure upgrading
Authors: Zhang Pei , Wang Jiaoe , Li Mengming , Xiao Fan
Published: November 2022

The construction of information infrastructure as well as the transformation and upgrading of the industrial structure are among the major challenges for the Chinese economy. Therefore, it is of great significance to explore how information infrastructure affects the upgrading of industrial structure. Based on the panel data of 31 provinces in China from 2013 to 2020, mediating effect model and non-parametric percentile bootstrap method are used to carry out empirical research, by creating an information infrastructure construction level and industrial structure upgrading indicators. The results show that, in addition to the direct effect of information infrastructure on industrial structure upgrading, information infrastructure can also work indirectly through three paths: (1) information infrastructure acts on industrial structure upgrading by enhancing urbanization level; (2) information infrastructure affects industrial structure upgrading by boosting technological innovation; (3) information infrastructure first enhances urbanization level, then acts on technological innovation, and finally promotes industrial structure upgrading. In addition, the intermediary effect of technological innovation is stronger than urbanization. In general, this study acknowledges that urbanization and technological innovation are partial mediators in the process of information infrastructure affecting industrial structure upgrading, notwithstanding other potential impact pathways being studied further.
Association between serum calcium level and in-hospital mortality in patients with acute myocardial infarction: a retrospective cohort study
Authors: Fang Dingfeng , Chen Haibo
Published: November 2022

The association between serum calcium levels and the prognosis of patients with acute myocardial infarction (AMI) remains controversial. This study aimed to explore the association between serum calcium and in-hospital mortality in patients with AMI. The data of this study were extracted from the Philips eICU Collaborative Research Database. A total of 7284 patients were eventually enrolled in this study, of which 799 (10.97%) died during hospitalization. For each patient, serum calcium, corrected to albumin, was calculated and categorized into four groups: Q1 ≤ 8.5, Q2 8.5–9.5, Q3 9.5–10.5, and Q4 > 10.5 mg/dL. Multivariate analysis demonstrated that corrected sCa was an independent predictor of in-hospital death (Q2 vs. Q1, OR 0.5, 95% CI 0.4–0.7, P < 0.001; Q3 vs. Q1, OR 0.8, 95% CI 0.6–1.0, P = 0.035; Q4 vs. Q1, OR 1.6, 95% CI 1.1–2.3, P = 0.008). The association remained stable in the fully adjusted model. A significant U-shaped association between corrected serum calcium and in-hospital mortality was observed in piecewise linear regression model (Corrected sCa < 9.4 mg/dL, OR 0.8, 95% CI 0.7–0.9, P < 0.001; corrected sCa > 9.4 mg/dL, OR 1.5, 95% CI 1.3–1.8, P < 0.001). In conclusion, both decreased and increased corrected serum calcium is associated with increased in-hospital mortality in patients with AMI, and patients may have the lowest risk of in-hospital death when corrected serum calcium is 9.4 mg/dL (2.35 mmol/L).
High electrolyte uptake of MXene integrated membrane separators for Zn-ion batteries
Authors: Likitaporn Chutiwat , Okhawilai Manunya , Kasemsiri Pornnapa , Qin Jiaqian , Potiyaraj Pranut , Uyama Hiroshi
Published: November 2022

The recent development of separators with high flexibility, high electrolyte uptake, and ionic conductivity for batteries have gained considerable attention. However, studies on composite separators with the aforementioned properties for aqueous electrolytes in Zn-ion batteries are limited. In this research, a polyacrylonitrile (PAN)/bio-based polyurethane (PU)/Ti3C2Tx MXene composite membrane was fabricated using an electrospinning technique. Ti3C2 MXene was embedded in fibers and formed a spindle-like structure. With Ti3C2Tx MXene, the electrolyte uptake and ionic conductivity reached the superior values of 2214% and 3.35 × 10−3 S cm−1, respectively. The composite membrane presented an excellent charge–discharge stability when assembled in a Zn//Zn symmetrical battery. Moreover, the developed separator exhibited a high flexibility and no dimensional and structural changes after heat treatment, which resulted in the high-performance separator for the Zn-ion battery. Overall, the PAN/bio-based PU/Ti3C2Tx MXene composite membrane can be potentially used as a high-performance separator for Zn-ion batteries.
No associations between C-reactive protein and spinal pain trajectories in children and adolescents (CHAMPS study-DK)
Authors: Beynon Amber M. , Wedderkopp Niels , Walker Bruce F. , Leboeuf-Yde Charlotte , Hartvigsen Jan , Jones Bobby , Shrier Ian , Wang Chinchin , Hébert Jeffrey J.
Published: November 2022

Preliminary evidence points to a link between C-reactive protein (CRP) and spinal pain in adults. However, there is a paucity of research in younger populations. Therefore, we aimed to determine associations between CRP and spinal pain in childhood and adolescence. We identified trajectories of spinal pain from childhood to adolescence and investigated the associations between CRP and trajectory subgroups. Six- to 11-year-old children from 13 primary schools, were followed from October 2008 and until 2014. High-sensitivity CRP collected at baseline (2008) was measured using serum samples. The outcome was the number of weeks with non-traumatic spinal pain between November 2008 and June 2014. We constructed a trajectory model to identify different spinal pain trajectory subgroups. The associations between CRP and spinal pain trajectory subgroups were modelled using mixed-effects multinominal logistic regression. Data from 1556 participants (52% female), with a mean age of 8.4 years at baseline, identified five spinal pain trajectory subgroups: “no pain” (55.3%), “rare” (23.7%), “rare, increasing” (13.6%), “moderate, increasing” (6.1%), and “early onset, decreasing” (1.3%). There were no differences in baseline high-sensitivity CRP levels between spinal pain trajectory subgroups. Thus, the heterogeneous courses of spinal pain experienced were not defined by differences in CRP at baseline.
Model experiments on hydraulic properties around multiple piers with reproduced 3D geometries
Authors: Sato Hirokazu
Published: November 2022

The effects of multiple piers with 3D geometries on water levels during floods, as well as riverbed fluctuations and local scour after floods were examined via hydraulic model experiments. The Kintaikyo Bridge in Japan, a world-famous historical triple-wooden-arch bridge, was modeled at a scale of approximately 1/276. The number of model piers was set to four, as in the real bridge, and they were 3D printed and installed in the sand layer of an open channel. To provide adequate information on the pier installation conditions and hydraulic response, four cases were studied in the experiments, primarily considering present pier conditions; the previous conditions of the Kintaikyo Bridge were also considered. The experimental conditions in these four cases depended on whether foundations were present, the piers were skewed against the flow center, and the shape was spindle or similar to that of the present case. In the current bridge condition where foundations are present and there is no skew, water level rise, riverbed fluctuation, and local scour were suppressed. Furthermore, the statistical analysis of the results suggested that riverbed fluctuations are more stable after flooding. The two piers with foundations had smaller scour areas than those without. Further, those with foundations generally had lower mean scour at the pier perimeters. Regarding those without foundations, there were no differences in riverbed fluctuations or local scour due to the skewed pier angle. In addition, the representative length of the pier with a 3D geometry was determined by dividing the projected area of the pier below the initial sand surface in the main flow direction by the pier height, and the relationship between the Froude number or the mean water depth and the maximum scour depth was investigated.
Intestinal preservation in a birdlike dinosaur supports conservatism in digestive canal evolution among theropods
Authors: Wang Xuri , Cau Andrea , Guo Bin , Ma Feimin , Qing Gele , Liu Yichuan
Published: November 2022

Dromaeosaurids were bird-like dinosaurs with a predatory ecology known to forage on fish, mammals and other dinosaurs. We describe Daurlong wangi gen. et sp. nov., a dromaeosaurid from the Lower Cretaceous Jehol Biota of Inner Mongolia, China. Exceptional preservation in this specimen includes a large bluish layer in the abdomen which represents one of the few occurrences of intestinal remnants among non-avian dinosaurs. Phylogenetically, Daurlong nests among a lineage of short-armed Jehol Biota species closer to eudromaeosaurs than microraptorines. The topographic correspondence between the exceptionally preserved intestine in the more stem-ward Scipionyx and the remnants in the more birdlike Daurlong provides a phylogenetic framework for inferring intestine tract extent in other theropods lacking fossilized visceral tissues. Gastrointestinal organization results conservative among faunivorous dinosaurs, with the evolution of a bird-like alimentary canal restricted to avialan theropods.
Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations
Authors: Brunt Dylan , Lakernick Phillip M. , Wu Chun
Published: November 2022

RNA dependent RNA polymerase (RdRp), is an essential in the RNA replication within the life cycle of the severely acute respiratory coronavirus-2 (SARS-CoV-2), causing the deadly respiratory induced sickness COVID-19. Remdesivir is a prodrug that has seen some success in inhibiting this enzyme, however there is still the pressing need for effective alternatives. In this study, we present the discovery of four non-nucleoside small molecules that bind favorably to SARS-CoV-2 RdRp over the active form of the popular drug remdesivir (RTP) and adenosine triphosphate (ATP) by utilizing high-throughput virtual screening (HTVS) against the vast ZINC compound database coupled with extensive molecular dynamics (MD) simulations. After post-trajectory analysis, we found that the simulations of complexes containing both ATP and RTP remained stable for the duration of their trajectories. Additionally, it was revealed that the phosphate tail of RTP was stabilized by both the positive amino acid pocket and magnesium ions near the entry channel of RdRp which includes residues K551, R553, R555 and K621. It was also found that residues D623, D760, and N691 further stabilized the ribose portion of RTP with U10 on the template RNA strand forming hydrogen pairs with the adenosine motif. Using these models of RdRp, we employed them to screen the ZINC database of ~ 17 million molecules. Using docking and drug properties scoring, we narrowed down our selection to fourteen candidates. These were subjected to 200 ns simulations each underwent free energy calculations. We identified four hit compounds from the ZINC database that have similar binding poses to RTP while possessing lower overall binding free energies, with ZINC097971592 having a binding free energy two times lower than RTP.
The link between liver fat and cardiometabolic diseases is highlighted by genome-wide association study of MRI-derived measures of body composition
Authors: van der Meer Dennis , Gurholt Tiril P. , Sønderby Ida E. , Shadrin Alexey A. , Hindley Guy , Rahman Zillur , de Lange Ann-Marie G. , Frei Oleksandr , Leinhard Olof D. , Linge Jennifer , Simon Rozalyn , Beck Dani , Westlye Lars T. , Halvorsen Sigrun , Dale Anders M. , Karlsen Tom H. , Kaufmann Tobias , Andreassen Ole A.
Published: November 2022

Obesity and associated morbidities, metabolic associated fatty liver disease (MAFLD) included, constitute some of the largest public health threats worldwide. Body composition and related risk factors are known to be heritable and identification of their genetic determinants may aid in the development of better prevention and treatment strategies. Recently, large-scale whole-body MRI data has become available, providing more specific measures of body composition than anthropometrics such as body mass index. Here, we aimed to elucidate the genetic architecture of body composition, by conducting genome-wide association studies (GWAS) of these MRI-derived measures. We ran both univariate and multivariate GWAS on fourteen MRI-derived measurements of adipose and muscle tissue distribution, derived from scans from 33,588 White European UK Biobank participants (mean age of 64.5 years, 51.4% female). Through multivariate analysis, we discovered 100 loci with distributed effects across the body composition measures and 241 significant genes primarily involved in immune system functioning. Liver fat stood out, with a highly discoverable and oligogenic architecture and the strongest genetic associations. Comparison with 21 common cardiometabolic traits revealed both shared and specific genetic influences, with higher mean heritability for the MRI measures (h2 = .25 vs. .13, p = 1.8x10−7). We found substantial genetic correlations between the body composition measures and a range of cardiometabolic diseases, with the strongest correlation between liver fat and type 2 diabetes (rg = .49, p = 2.7x10−22). These findings show that MRI-derived body composition measures complement conventional body anthropometrics and other biomarkers of cardiometabolic health, highlighting the central role of liver fat, and improving our knowledge of the genetic architecture of body composition and related diseases.
Chronic oligodendrocyte injury in central nervous system pathologies
Authors: Molina-Gonzalez Irene , Miron Veronique E. , Antel Jack P.
Published: November 2022

Myelin, the membrane surrounding neuronal axons, is critical for central nervous system (CNS) function. Injury to myelin-forming oligodendrocytes (OL) in chronic neurological diseases (e.g. multiple sclerosis) ranges from sublethal to lethal, leading to OL dysfunction and myelin pathology, and consequent deleterious impacts on axonal health that drive clinical impairments. This is regulated by intrinsic factors such as heterogeneity and age, and extrinsic cellular and molecular interactions. Here, we discuss the responses of OLs to injury, and perspectives for therapeutic targeting. We put forward that targeting mature OL health in neurological disease is a promising therapeutic strategy to support CNS function.
Role of formaldehyde in promoting aromatic selectivity during methanol conversion over gallium-modified zeolites
Authors: Wen Wu , Xiao Tianci , Feng Beibei , Zhou Chaoqun , Li Jian , Ma Hao , Zhou Zhongyue , Zhang Ying , Yang Jiuzhong , Wang Zhandong , Qi Fei , Bao Jun , Liu Chengyuan , Pan Yang
Published: November 2022

Gallium-modified HZSM-5 zeolites are known to increase aromatic selectivity in methanol conversion. However, there are still disputes about the exact active sites and the aromatic formation mechanisms over Ga-modified zeolites. In this work, in situ synchrotron radiation photoionization mass spectrometry (SR-PIMS) experiments were carried out to study the behaviors of intermediates and products during methanol conversion over Ga-modified HZSM-5. The increased formaldehyde (HCHO) yield over Ga-modified HZSM-5 was found to play a key role in the increase in aromatic yields. More HCHO was deemed to be generated from the direct dehydrogenation of methanol, and Ga2O3 in Ga-modified HZSM-5 was found to be the active phase. The larger increase in aromatic production over Ga-modified HZSM-5 after reduction‒oxidation treatment was found to be the result of redispersed Ga2O3 with smaller size generating a larger amount of HCHO. This study provides some new insights into the internal driving force for promoting the production of aromatics over Ga-modified HZSM-5.
Catalytic asymmetric synthesis of carbocyclic C-nucleosides
Authors: Mishra Sourabh , Modicom Florian C. T. , Dean Conor L. , Fletcher Stephen P.
Published: November 2022

Access to carbocyclic C-nucleosides (CC-Ns) is currently restricted. The few methods available to make CC-Ns suffer from long syntheses and poor modularity, hindering the examination of potentially important chemical space. Here we report an approach to CC-Ns which uses an asymmetric Suzuki-Miyaura type reaction as the key C-C bond forming step. After coupling the densely functionalized racemic bicyclic allyl chloride and heterocyclic boronic acids, the trisubstituted cyclopentenyl core is elaborated to RNA analogues via a hydroborylation-homologation-oxidation sequence. We demonstrate that the approach can be used to produce a variety of enantiomerically enriched CC-Ns, including a carbocyclic derivative of Showdomycin.
Target-oriented design of helical nanotube molecules for rolled incommensurate bilayers
Authors: Isobe Hiroyuki , Kotani Yuki , Matsuno Taisuke , Fukunaga Toshiya M. , Ikemoto Koki
Published: November 2022

Incommensurate double-wall carbon nanotubes give rise to unique stereochemistry originating from twisted stacks of hexagon arrays. However, atomic-level studies on such unique systems have rarely been performed, even though syntheses of molecular segments of carbon nanotubes have been extensively explored. The design of cylindrical molecules with chirality, particularly, in pairs provides synthetic challenges, because relationships between diameters specified with chiral indices and structures of arylene panels have not been investigated in a systematic manner. Here we show that a molecular version of incommensurate double-wall carbon nanotubes can be designed through the development of an atlas for the top-down design of cylindrical molecules. A large-bore cylindrical molecule with a diameter of 1.77 nm was synthesized using a readily available pigment and encapsulated a small-bore cylindrical molecule with a diameter of 1.04 nm. The large- and small-bore molecules possessed helicity in atomic arrangements, and their coaxial assembly proceeded in nonstereoselective manner to give both heterohelical and homohelical combinations.
Transport properties of dipole skyrmions in amorphous Fe/Gd multilayers
Authors: Montoya Sergio A. , Lubarda Marko V. , Lomakin Vitaliy
Published: November 2022

Chiral magnets are known to possess interesting electromagnetic properties that result from the coupling of electrons with nontrivial magnetic phases, such as particle-like magnetic spin textures termed skyrmions. So far, it is unclear how the local and global chirality of magnetic spin textures contributes to the electromagnetic transport responses that have so far been observed. In this work, we focus on unraveling the contributions in the field-dependent longitudinal resistivity response that arises from magnetic spin textures in a centrosymmetric Fe/Gd multilayer that exhibits an array of magnetic phases ranging from stripe, mixed stripe-skyrmion, skyrmion lattice, and disordered skyrmion. Using a combination of transport measurements and micromagnetic simulations, we demonstrate a domain wall chirality reconfiguration occurs as the domain morphology transitions from disordered stripe to skyrmion lattice phase under applied fields that is responsible for the interesting transport responses noted in the field-dependent longitudinal resistivity.
Radiotherapy in combination with CD47 blockade elicits a macrophage-mediated abscopal effect
Authors: Nishiga Yoko , Drainas Alexandros P. , Baron Maya , Bhattacharya Debadrita , Barkal Amira A. , Ahrari Yasaman , Mancusi Rebecca , Ross Jason B. , Takahashi Nobuyuki , Thomas Anish , Diehn Maximilian , Weissman Irving L. , Graves Edward E. , Sage Julien
Published: November 2022

Radiation therapy is a mainstay of cancer treatment but does not always lead to complete tumor regression. Here we combine radiotherapy with blockade of the ‘don’t-eat-me’ cell-surface molecule CD47 in small cell lung cancer (SCLC), a highly metastatic form of lung cancer. CD47 blockade potently enhances the local antitumor effects of radiotherapy in preclinical models of SCLC. Notably, CD47 blockade also stimulates off-target ‘abscopal’ effects inhibiting non-irradiated SCLC tumors in mice receiving radiation. These abscopal effects are independent of T cells but require macrophages that migrate into non-irradiated tumor sites in response to inflammatory signals produced by radiation and are locally activated by CD47 blockade to phagocytose cancer cells. Similar abscopal antitumor effects were observed in other cancer models treated with radiation and CD47 blockade. The systemic activation of antitumor macrophages following radiotherapy and CD47 blockade may be particularly important in patients with cancer who suffer from metastatic disease.
Root uptake dominates mercury accumulation in permafrost plants of Qinghai-Tibet Plateau
Authors: Wang Xun , Yuan Wei , Lin Che-Jen , Wang Dingyong , Luo Ji , Xia Jicheng , Zhang Wei , Wang Feiyue , Feng Xinbin
Published: November 2022

Uptake of atmospheric elemental mercury via foliage is thought to be the dominant pathway of mercury accumulation in terrestrial ecosystems, including those in the Arctic permafrost regions. Whether a similar process operates in alpine permafrost regions remains unknown. Here we report mercury concentrations and stable isotopic signatures in a large cluster alpine permafrost regions of mid-latitude Qinghai-Tibet Plateau. We find a transition from foliage to root uptake of mercury as elevation increases. In alpine permafrost regions, we find that root uptake of mercury from the surrounding soil is the dominant accumulation pathway. We estimate that root uptake accounts for 70 ± 19% of plant mercury in permafrost regions of the Qinghai-Tibet Plateau and propose that this may be related to the harsh climate conditions suppressing foliage growth and promoting lateral root growth.
A decline in atmospheric CO2 levels under negative emissions may enhance carbon retention in the terrestrial biosphere
Authors: Park So-Won , Kug Jong-Seong
Published: November 2022

Negative emissions are a key mitigation measure in emission scenarios consistent with Paris agreement targets. The terrestrial biosphere is a carbon sink that regulates atmospheric carbon dioxide (CO2) concentration and climate, but its role under negative emissions is highly uncertain. Here, we investigate the reversibility of the terrestrial carbon cycle to idealized CO2 ramp-up and ramp-down forcing using an ensemble of CMIP6 Earth system models. We find a strong lag in the response of the terrestrial carbon cycle to CO2 forcing. The terrestrial biosphere retains more carbon after CO2 removal starts, even at equivalent CO2 levels. This lagged response is greatest at high latitudes due to long carbon residence time and enhanced vegetation productivity. However, in the pan-Arctic region, terrestrial carbon dynamics under negative emissions are highly dependent on permafrost processes. We suggest that irreversible carbon emissions may occur in permafrost even after achieving net-zero emissions, which offsets ~30% of enhanced land C retention and could hinder climate mitigation.
Injectable composite hydrogels encapsulating gelatin methacryloyl/chitosan microspheres as ARPE-19 cell transplantation carriers
Authors: Cheng Xiulin , Yin Panjing , Li Ting , Luo Lincong , Yang Yang , Wang Ling , Su Weiwei , Wang Yilin , Li Yanbing , Wang Yanfang , Wu Yaobin , Huang Wenhua
Published: November 2022

Retinal pigment epithelial (RPE) cell transplantation is being explored as a feasible approach for treating age-related macular degeneration.
Liquid-phase permethylation of diethylenetriamine using methanol over robust composite copper catalysts
Authors: Jiang Fan , Yan Zhen , Chen Xuan , Li Xinlei , Streiff Stéphane , Pera-Titus M.
Published: November 2022

Pentamethyldiethylenetriamine, a precursor of polyurethane, was synthesized with 75% yield by permethylation of diethylenetriamine with methanol over composite copper catalysts.
An alkynyl-protected Ag13−xCu6+x nanocluster for catalytic hydrogenation
Authors: Gao Yan-Li , Sun Xueli , Tang Xiongkai , Xie Zhenlang , Tian Guolong , Nan Zi-Ang , Yang Huayan , Shen Hui
Published: November 2022

A novel alkynyl-stabilized silver–copper alloy nanocluster of [Ag13−xCu6+x(tBuC6H4CC)14(PPh3)6](SbF6)3 has been prepared. The cluster exhibits high catalytic performance in catalytic hydrogenation reactions.
Atmospheric fates of SO2 at the gas–solid interface of iron oxyhydroxide (FeOOH) minerals: effects of crystal structure, oxalate coating and light irradiance
Authors: Wang Wei , Li Kejian , Liu Yangyang , Gong Kedong , Ge Qiuyue , Wang Longqian , Wang Tao , Zhang Liwu
Published: November 2022

Heterogeneous SO2 conversion over FeOOH minerals leads to the considerable formation of atmospheric sulfate aerosols, influenced by crystal structure, light irradiance and oxalate coating.
High performance 1D–2D CuO/MoS2 photodetectors enhanced by femtosecond laser-induced contact engineering
Authors: Huo Jinpeng , Zou Guisheng , Xiao Yu , Sun Tianming , Feng Bin , Shen Daozhi , Lin Luchan , Wang Wengan , A Zhanwen , Liu Lei
Published: November 2022

Contact engineering by fs laser irradiation was proposed to further improve the interfacial contact state and photodetection capabilities of mixed-dimensional heterostructures via laser induced MoS2 wrapping and contamination removal.
Optical properties of extreme tellurium nanowires formed in subnanometer-diameter channels
Authors: Poborchii Vladimir V. , Fokin Alexander V. , Shklyaev Alexander A.
Published: November 2022

AFI crystal with single Te chains in its channels displays high optical absorption anisotropy and good agreement of its cc Raman spectrum and calculated phonon band structure of ideal Te helix with predicted unique electronic/spintronic properties.
Growth suppression of bacteria by biofilm deterioration using silver nanoparticles with magnetic doping
Authors: Torres-Mendieta Rafael , Nguyen Nhung H. A. , Guadagnini Andrea , Semerad Jaroslav , Łukowiec Dariusz , Parma Petr , Yang Jijin , Agnoli Stefano , Sevcu Alena , Cajthaml Tomas , Cernik Miroslav , Amendola Vincenzo
Published: November 2022

Magnetic Ag nanoparticles are produced as ad hoc tools to disrupt biofilms formed by infectious bacteria permitting their efficient eradication.
Nickel cobalt selenides on black phosphorene with fast electron transport for high-energy density sodium-ion half/full batteries
Authors: Yang Jun , Zhang Chenrui , Geng Jitao , Sui Yangyang , Wei Huaixin , Sun Chencheng , Geng Hongbo , Liu Yushen
Published: November 2022

The BP@Ni3Se4/CoSe2heterostructure delivers superior sodium storage performance with long cycling stability and high energy density.
Phosphate functionalized CoS nanoparticles coupled with Fe2O3nanocrystals decorated on N,S co-doped porous carbon spheres for advanced hybrid supercapacitors
Authors: Ji Zhenyuan , Tang Guanxiang , Ma Dongwei , Chen Lizhi , Zhu Guoxing , Zhu Jun , Shen Xiaoping
Published: November 2022

An advanced hybrid supercapacitor with excellent electrochemical features was assembled using N,S co-doped porous carbon sphere decorated CoS nanoparticles with phosphate functionalization and ultrafine Fe2O3nanocrystals.
Three-dimensional porphyrin-based covalent organic frameworks withstptopology for an efficient electrocatalytic oxygen evolution reaction
Authors: Gong Chengtao , Yang Xinying , Wei Xiaofei , Dai Fangna , Zhang Tao , Wang Danfeng , Li Mingyan , Jia Jianhong , She Yuanbin , Xu Guodong , Peng Yongwu
Published: November 2022

A novel 3D porphyrin-based COF, with 2-fold interpenetratedstptopology and greatly enhanced electrocatalytic OER performance after post-metallization, was synthesized.
Ni-based ultrathin nanostructures for overall electrochemical water splitting
Authors: Molla Cheru Fekadu , Gonfa Bedasa Abdisa , Sabir Fedlu Kedir , Gicha Birhanu Bayissa , Nwaji Njemuwa , Tufa Lemma Teshome , Lee Jaebeom
Published: November 2022

We outline the synthesis approaches of Ni-utNSs toward improvement in morphology, active structures, efficiency, and stability as well as their electrocatalytic mechanism in order to achieve clean H2 production through overall water splitting.
Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)
Authors: Chatterjee Sudeshna , Ta Sabyasachi , Khanra Somnath , Das Debasis
Published: November 2022

Two amide–imine conjugates and their Mo(vi) complexes (M1 and M2) were characterized by single crystal X-ray diffraction analysis. While M1 recognises both Y3+ and Pb2+ at two different wavelengths, M2 recognises only Y3+ with significantly high binding constant.
Dual-mode vehicles with simultaneous thermometry and drug release properties based on hollow Y2O3:Er,Yb and Y2O2SO4:Er,Yb spheres
Authors: Mohanty Sonali , Premcheska Simona , Verduijn Joost , Rijckaert Hannes , Skirtach Andre G. , Van Hecke Kristof , Kaczmarek Anna M.
Published: November 2022

Hollow Y2O3 and Y2O2SO4 materials doped with Er3+ and Yb3+ can be successfully used for simultaneous luminescence thermometry and drug delivery applications.
Extraction of alumina from high-alumina fly ash by ammonium sulfate: roasting kinetics and mechanism
Authors: Li Xiaoying , Hu Bo , Liu Nengsheng , Liu Xueqing , Liu Chengwei , He Xintao , He Sufang
Published: November 2022

The reaction mechanism of ammonium sulfate roasting high alumina fly ash is described detailly in this figure.
Chemically suppressing redox reaction at the NiOx/perovskite interface in narrow bandgap perovskite solar cells to exceed a power conversion efficiency of 20%
Authors: Bian Hongyu , You Jiayu , Xu Cunyun , He Xiaofeng , Wang Meng , Yao YanQing , Zeng Wenqi , Guo Pengju , Zhou Hongyu , Lu Dengcheng , Dai Zhongjun , Zhang Sam , Song Qunliang
Published: November 2022

A redox reaction is found at the NiOx/NBG perovskite interface, and a bifacial reduction strategy is proposed for chemically suppressing this.
Highly stretchable, tough, healable and mechanoresponsive polyurethane elastomers for flexible capacitor applications
Authors: Khan Amir , Wang Chuan-Fu , Kisannagar Ravinder Reddy , Chuang Wei-Tsung , Nhien Pham Quoc , Mahmood Sadiq , Katiyar Monica , Gupta Dipti , Wei Kung-Hwa , Lin Hong-Cheu
Published: November 2022

Mechanochromic, tough and healable polyurethane films are synthesized and their properties are thoroughly characterized. The optimum films are utilized to explore the potential applications of shape memory and flexible capacitor devices.