bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identifying the key steps determining the selectivity of toluene methylation with methanol over HZSM-5
Authors: Chen Qingteng , Liu Jian , Yang Bo 
Published: June 2021

AbstractMethylation of toluene with methanol to produce p-xylene has been investigated for decades, but the origin of selectivity is still under debate. Here we report computational studies based on ab initio molecular dynamics simulations and free energy sampling methods to identify the key steps determining the selectivity. The steps of toluene methylation to protonated-xylene, deprotonation of protonated-xylenes, and diffusion of xylene in HZSM-5 channels are compared. We find the pathways of formation for protonated p-/m-xylenes have similar free energy barriers. Meanwhile, the methylation is found rate-determining, thus the probability to generate p-/m-xylenes at the active site are similar. We then find that the diffusion for m-xylene along the zigzag channel is more difficult than its isomerization to p-xylene, which in turn further promotes the selectivity of p-xylene formation. These insights obtained at the molecular level are crucial for further development of high-performance zeolite catalysts for toluene methylation.
Straintronics with van der Waals materials
Authors: Miao Feng , Liang Shi-Jun , Cheng Bin 
Published: June 2021

AbstractWith the outstanding mechanical properties, van der Waals (vdW) materials have attracted extensive attention in the research of straintronics in the past decade. In this perspective, we first review the recent progresses of the straintronics with vdW materials based on three different lattice deformation modes, i.e., in-plane strain, out-of-plane strain, and heterostrain. Then we discuss the current technique challenges in this field, and finally provide our perspectives on future research directions for both fundamental physics and electronic applications.
Coexistence of dynamical delocalization and spectral localization through stochastic dissipation
Authors: Weidemann Sebastian , Kremer Mark , Longhi Stefano , Szameit Alexander 
Published: June 2021

AbstractAnderson’s groundbreaking discovery that the presence of stochastic imperfections in a crystal may result in a sudden breakdown of conductivity1 revolutionized our understanding of disordered media. After stimulating decades of studies2, Anderson localization has found applications in various areas of physics3–12. A fundamental assumption in Anderson’s treatment is that no energy is exchanged with the environment. Recently, a number of studies shed new light on disordered media with dissipation14–22. In particular it has been predicted that random fluctuations solely in the dissipation, introduced by the underlying potential, could exponentially localize all eigenstates (spectral localization)14, similar to the original case without dissipation that Anderson considered. We show in theory and experiment that uncorrelated disordered dissipation can simultaneously cause spectral localization and wave spreading (dynamical delocalization). This discovery implies the breakdown of the commonly known correspondence between spectral and dynamical localization known from the Hermitian Anderson model with uncorrelated disorder.
Colonic dialysis can influence gut flora to protect renal function in patients with pre-dialysis chronic kidney disease
Authors: Li Yueming , Dai Minhui , Yan Jianqin , Liu Fang , Wang Xi , Lin Lizhen , Huang Mei , Li Cuifang , Wen Rui , Qin Jiao , Xu Hui 
Published: June 2021

AbstractChronic kidney disease (CKD) is a major public health burden around the world. The gut microbiome may contribute to CKD progression and serve as a promising therapeutic target. Colonic dialysis has long been used in China to help remove gut-derived toxins to delay CKD progression. Since disturbances in the gut biome may influence disease progression, we wondered whether colonic dialysis may mitigate the condition by influencing the biome. We compared the gut microbiota, based on 16S rRNA gene sequencing, in fecal samples of 25 patients with CKD (stages 3–5) who were receiving colonic dialysis(group CD), 25 outpatients with CKD not receiving colonic dialysis(group OP), and 34 healthy subjects(group HS). Richness of gut microbiota was similar between patients on colonic dialysis and healthy subjects, and richness in these two groups was significantly higher than that in patients not on colonic dialysis. Colonic dialysis also altered the profile of microbes in the gut of CKD patients, bringing it closer to the profile in healthy subjects. Colonic dialysis may protect renal function in pre-dialysis CKD by mitigating dysbiosis of gut microbiota.
Cold and dry winter conditions are associated with greater SARS-CoV-2 transmission at regional level in western countries during the first epidemic wave
Authors: Landier Jordi , Paireau Juliette , Rebaudet Stanislas , Legendre Eva , Lehot Laurent , Fontanet Arnaud , Cauchemez Simon , Gaudart Jean 
Published: June 2021

AbstractHigher transmissibility of SARS-CoV-2 in cold and dry weather conditions has been hypothesized since the onset of the COVID-19 pandemic but the level of epidemiological evidence remains low. During the first wave of the pandemic, Spain, Italy, France, Portugal, Canada and USA presented an early spread, a heavy COVID-19 burden, and low initial public health response until lockdowns. In a context when testing was limited, we calculated the basic reproduction number (R0) in 63 regions from the growth in regional death counts. After adjusting for population density, early spread of the epidemic, and age structure, temperature and humidity were negatively associated with SARS-CoV-2 transmissibility. A reduction of mean absolute humidity by 1 g/m3 was associated with a 0.15-unit increase of R0. Below 10 °C, a temperature reduction of 1 °C was associated with a 0.16-unit increase of R0. Our results confirm a dependency of SARS-CoV-2 transmissibility to weather conditions in the absence of control measures during the first wave. The transition from summer to winter, corresponding to drop in temperature associated with an overall decrease in absolute humidity, likely contributed to the intensification of the second wave in north-west hemisphere countries. Non-pharmaceutical interventions must be adjusted to account for increased transmissibility in winter conditions.
Fabrication and characterization of resistive double square loop arrays for ultra-wide bandwidth microwave absorption
Authors: Jeong Ji-Young , Lee Je-Ryung , Park Hyeonjin , Jung Joonkyo , Choi Doo-Sun , Jeon Eun-chae , Shin Jonghwa , Han Jun Sae , Je Tae-Jin 
Published: June 2021

AbstractMicrowave absorbers using conductive ink are generally fabricated by printing an array pattern on a substrate to generate electromagnetic fields. However, screen printing processes are difficult to vary the sheet resistance values for different regions of the pattern on the same layer, because the printing process deposits materials at the same height over the entire surface of substrate. In this study, a promising manufacturing process was suggested for engraved resistive double square loop arrays with ultra-wide bandwidth microwave. The developed manufacturing process consists of a micro-end-milling, inking, and planing processes. A 144-number of double square loop array was precisely machined on a polymethyl methacrylate workpiece with the micro-end-milling process. After engraving array structures, the machined surface was completely covered with the developed conductive carbon ink with a sheet resistance of 15 Ω/sq. It was cured at room temperature. Excluding the ink that filled the machined double square loop array, overflowed ink was removed with the planing process to achieve full filled and isolated resistive array patterns. The fabricated microwave absorber showed a small radar cross-section with reflectance less than − 10 dB in the frequency band range of 8.0–14.6 GHz.
Epidemiology of tuberculosis among different occupational groups in Makkah region, Saudi Arabia
Authors: Semilan Hasan M. , Abugad Hassan A. , Mashat Husain M. , Abdel Wahab Moataza M. 
Published: June 2021

AbstractEach year in Saudi Arabia, the Hajj season represents one of the world’s most significant annual mass gatherings, attracting high proportion of immigrants from different parts of the world in small crowded areas, posing a risk for Tuberculosis (TB) transmission. There is a high potential for TB contact and infection in the workplace as it is transmitted through the air. Most of the studies in Saudi Arabia assessed the TB infection among health care workers. However, the TB incidence rate among other variant occupational groups was not yet determined. This study was conducted to assess the incidence rate of tuberculosis, and determine the risk factors of TB infection among different occupational groups in the Makkah region, Saudi Arabia 2016. A cross-sectional study was carried out based on the secondary data of the patients registered in the Saudi national tuberculosis control and prevention program in 2016. Data were then organized and analyzed for age, gender, nationality, educational level, average monthly wage, average weekly working hours, and occupation of the patients. Occupations were reclassified according to the Saudi Standard Classification of Occupation (SSCO). A total of 1270 cases were included in this study, 300 (23.6%) of them were workers. The incidence rate of TB among workers in the Makkah region was 9 per 100,000 workers compared to 31 per 100,000 persons among the general population in 2016. The TB incidence rate was the highest among occupation of supporting basic engineering with 13 per 100,000 workers in 2016. The highest incidence rate of TB among occupations of supporting basic engineering could be attributed to close contact with the general population in closed spaces for long periods of time, and low socioeconomic status.
Concomitant attenuation of HMGCR expression and activity enhances the growth inhibitory effect of atorvastatin on TGF-β-treated epithelial cancer cells
Authors: Warita Katsuhiko , Ishikawa Takuro , Sugiura Akihiro , Tashiro Jiro , Shimakura Hiroaki , Hosaka Yoshinao Z. , Ohta Ken-ichi , Warita Tomoko , Oltvai Zoltán N. 
Published: June 2021

AbstractEpithelial-mesenchymal transition (EMT) in primary tumor cells is a key prerequisite for metastasis initiation. Statins, cholesterol-lowering drugs, can delay metastasis formation in vivo and attenuate the growth and proliferation of tumor cells in vitro. The latter effect is stronger in tumor cells with a mesenchymal-like phenotype than in those with an epithelial one. However, the effect of statins on epithelial cancer cells treated with EMT-inducing growth factors such as transforming growth factor-β (TGF-β) remains unclear. Here, we examined the effect of atorvastatin on two epithelial cancer cell lines following TGF-β treatment. Atorvastatin-induced growth inhibition was stronger in TGF-β-treated cells than in cells not thusly treated. Moreover, treatment of cells with atorvastatin prior to TGF-β treatment enhanced this effect, which was further potentiated by the simultaneous reduction in the expression of the statin target enzyme, 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGCR). Dual pharmacological targeting of HMGCR can thus strongly inhibit the growth and proliferation of epithelial cancer cells treated with TGF-β and may also improve statin therapy-mediated attenuation of metastasis formation in vivo.
Research on the multi-physics field coupling simulation of aero-rotor blade electrochemical machining
Authors: Huang Liang , Cao Yan , Zhang Xinyun , Zhang Jiahao , Lei Yan , Li Yao , Fan Qingming 
Published: June 2021

AbstractAimed at the problem that the quality of the formation of aero-rotor blades with complex shaped structures is difficult to predict due to the coupling of each physical field in the process of electrochemical machining, a mathematical model of electrochemical machining characterized by the conductivity of the multi-physics field is established firstly by studying the coupling action mechanism of the flow field and temperature field on electric field conductivity in the machining process. Then, utilizing the Runge–Kutta method, the relationship between the conductivity and the machine path is analysed; Finally, based on this relationship, the multi-physics field electrochemical machining erosion model is compared with the traditional single electric field electrochemical machining erosion model. The results show that the error of the multi-physical field coupling prediction model proposed in this study is in the range of 1.27–2.35%, while the accuracy of the single electric field prediction model is in the range of 4.35–5.88%. The theoretical value of the multi-physics field coupling simulation is closer to the measured value of the test and can accurately simulate the actual electrochemical machining process, which can provide a theoretical basis for the design of cathode tools and parameter optimization in the actual processing process and is of great significance to improve the quality and efficiency of the electrochemical machining of aero-rotor blades.
The effect of coarctation degrees on wall shear stress indices
Authors: Rafiei Deniz , Abazari Mohammad Amin , Soltani M. , Alimohammadi Mona 
Published: June 2021

AbstractCoarctation of the aorta (CoA) is a congenital tightening of the proximal descending aorta. Flow quantification can be immensely valuable for an early and accurate diagnosis. However, there is a lack of appropriate diagnostic approaches for a variety of cardiovascular diseases, such as CoA. An accurate understanding of the disease depends on measurements of the global haemodynamics (criteria for heart function) and also the local haemodynamics (detailed data on the dynamics of blood flow). Playing a significant role in clinical processes, wall shear stress (WSS) cannot be measured clinically; thus, computation tools are needed to give an insight into this crucial haemodynamic parameter. In the present study, in order to enable the progress of non-invasive approaches that quantify global and local haemodynamics for different CoA severities, innovative computational blueprint simulations that include fluid–solid interaction models are developed. Since there is no clear approach for managing the CoA regarding its severity, this study proposes the use of WSS indices and pressure gradient to better establish a framework for treatment procedures in CoA patients with different severities. This provides a platform for improving CoA therapy on a patient-specific level, in which physicians can perform treatment methods based on WSS indices on top of using a mere experience. Results show how severe CoA affects the aorta in comparison to the milder cases, which can give the medical community valuable information before and after any intervention.
Electrical conductivity as a driver of biological and geological spatial heterogeneity in the Puquios, Salar de Llamara, Atacama Desert, Chile
Authors: Reid R. P. , Oehlert A. M. , Suosaari E. P. , Demergasso C. , Chong G. , Escudero L. V. , Piggot A. M. , Lascu I. , Palma A. T. 
Published: June 2021

AbstractReputed to be the driest desert in the world, the Atacama Desert in the Central Andes of Northern Chile is an extreme environment with high UV radiation, wide temperature variation, and minimum precipitation. Scarce lagoons associated with salt flats (salars) in this desert are the surface expression of shallow groundwater; these ponds serve as refugia for life and often host microbial communities associated with evaporitic mineral deposition. Results based on multidisciplinary field campaigns and associated laboratory examination of samples collected from the Puquios of the Salar de Llamara in the Atacama Desert during austral summer provide unprecedented detail regarding the spatial heterogeneity of physical, chemical, and biological characteristics of these salar environments. Four main lagoons (‘Puquios’) and more than 400 smaller ponds occur within an area less than 5 km2, and are characterized by high variability in electrical conductivity, benthic and planktonic biota, microbiota, lagoon bottom type, and style of mineral deposition. Results suggest that electrical conductivity is a driving force of system heterogeneity. Such spatial heterogeneity within the Puquios is likely to be expanded with temporal observations incorporating expected seasonal changes in electrical conductivity. The complexity of these Andean ecosystems may be key to their ability to persist in extreme environments at the edge of habitability.
Life history and nesting ecology of a Japanese tube-nesting spider wasp Dipogon sperconsus (Hymenoptera: Pompilidae)
Authors: Nishimoto Yutaka , Shimizu Akira , Yoshimura Jin , Endo Tomoji 
Published: June 2021

AbstractTo clarify the life history of the Japanese spider wasp Dipogon sperconsus, bionomical studies using bamboo-cane trap nests were carried out in Japan. Based on weekly and consecutive daily surveys of trap nests and rearing of broods from collected nests, we evaluated the production of cells and eggs per day, prey spiders, and seasonal patterns of nesting activities. We found a relatively short critical period of switching from the summer generation into the overwintering generation. We also found that the voltinism is affected by the timing of egg production of the second generation in relation to this critical period. The developmental period for each generation and sex, voltinism and cell production per day were determined based on data for a large number of individuals for the first time.
Expression of a maize SOC1 gene enhances soybean yield potential through modulating plant growth and flowering
Authors: Han Xue , Wang Dechun , Song Guo-qing 
Published: June 2021

AbstractYield enhancement is a top priority for soybean (Glycine max Merr.) breeding. SUPPRESSOR OF OVEREXPRESSION OF CONSTANS 1 (SOC1) is a major integrator in flowering pathway, and it is anticipated to be capable of regulating soybean reproductive stages through its interactions with other MADS-box genes. Thus, we produced transgenic soybean for a constitutive expression of a maize SOC1 (ZmSOC1). T1 transgenic plants, in comparison with the nontransgenic plants, showed early flowering, reduced height of mature plants, and no significant impact on grain quality. The transgenic plants also had a 13.5–23.2% of higher grain weight per plant than the nontransgenic plants in two experiments. Transcriptome analysis in the leaves of 34-day old plants revealed 58 differentially expressed genes (DEGs) responding to the expression of the ZmSOC1, of which the upregulated FRUITFULL MADS-box gene, as well as the transcription factor VASCULAR PLANT ONE-ZINC FINGER1, contributed to the promoted flowering. The downregulated gibberellin receptor GID1B could play a major role in reducing the plant height. The remaining DEGs suggested broader effects on the other unmeasured traits (e.g., photosynthesis efficiency and abiotic tolerance), which could contribute to yield increase. Overall, modulating expression of SOC1 in soybean provides a novel and promising approach to regulate plant growth and reproductive development and thus has a potential either to enhance grain yield or to change plant adaptability.
Cross-sectional imaging of intestinal barrier dysfunction by confocal laser endomicroscopy can identify patients with food allergy in vivo with high sensitivity
Authors: Rath Timo , Dieterich Walburga , Kätscher-Murad Christiane , Neurath Markus F. , Zopf Yurdagül 
Published: June 2021

AbstractFood allergy (FA) affects approximately 3 to 4% of the adult population in westernized countries. Suspected FA is even more prevalent and requires extensive diagnostic work-up. Within this study, we evaluated whether assessment of the integrity of the epithelial barrier by confocal laser endomicroscopy (CLE) during colonoscopy can be used as a screening tool to identify patients with FA. 60 patients with suspected FA were prospectively included. Serology with total and food-specific IgE, anti-tissue transglutaminase, skin prick testing, food intolerance tests, food intake registration and assessment of clinical complaints were performed. During colonocopy, standardized CLE was performed in the terminal ileum and at two colorectal sites. Analysis of CLE images included functional (i.e. presence of epithelial barrier dysfunction) and quantitative parameters of intestinal architecture. 27 of 60 patients (45%) were diagnosed with FA. Barrier dysfunction was analyzed on 65.837 ileal and on 93.251 colonic images. 96% of patients with FA exhibited functional and structural barrier defects while barrier dysfunction was found in only 33% of patients without FA (p < 0.0001). Visualizing barrier dysfunction with CLE for in vivo diagnosis of FA had a sensitivity and specificity of 96% and 67%, respectively, with a positive and negative prediction of 70% and 96%, respectively. Parameters intrinsic to the crypt architecture including crypt diameter, intercrypt distance, crypt lumen diameter and colonic vasculature were not different between patients with and without FA. CLE-based imaging of the intestinal barrier during colonoscopy might help in stratifying patients with suspected FA for further diagnostic work-up.
Parsimonious neural networks learn interpretable physical laws
Authors: Desai Saaketh , Strachan Alejandro 
Published: June 2021

AbstractMachine learning is playing an increasing role in the physical sciences and significant progress has been made towards embedding domain knowledge into models. Less explored is its use to discover interpretable physical laws from data. We propose parsimonious neural networks (PNNs) that combine neural networks with evolutionary optimization to find models that balance accuracy with parsimony. The power and versatility of the approach is demonstrated by developing models for classical mechanics and to predict the melting temperature of materials from fundamental properties. In the first example, the resulting PNNs are easily interpretable as Newton’s second law, expressed as a non-trivial time integrator that exhibits time-reversibility and conserves energy, where the parsimony is critical to extract underlying symmetries from the data. In the second case, the PNNs not only find the celebrated Lindemann melting law, but also new relationships that outperform it in the pareto sense of parsimony vs. accuracy.
HER2-antigen-specific humoral immune response in breast cancer lymphocytes transplanted in hu-PBL hIL-4 NOG mice
Authors: Ohno Yusuke , Ohshima Shino , Miyamoto Asuka , Kametani Fuyuki , Ito Ryoji , Tsuda Banri , Kasama Yukie , Nakada Shunsuke , Kashiwagi Hirofumi , Seki Toshiro , Yasuda Atsushi , Ando Kiyoshi , Ito Mamoru , Tokuda Yutaka , Kametani Yoshie 
Published: June 2021

AbstractThe status of humoral immunity of cancer patients is not clear compared to cellular immunity because the ability of specific antibody production is difficult to analyze in vitro. We previously developed a humanized mouse model to evaluate antigen-specific antibody production by transplanting human peripheral blood mononuclear cells (PBMCs) into NOG-hIL-4-Tg mice (hu-PBL hIL-4 NOG). In this study, these mice were transplanted with PBMCs derived from breast cancer patients (BC) and immunized with a human epidermal growth factor receptor 2 (HER2) peptide, CH401MAP, to analyze humoral immunity of BCs. The hu-PBL hIL-4 NOG mice recapitulated immune environment of BCs as the ratio of CD8+/CD4+T cells was lower and that of PD-1 + T cells was higher compared to healthy donors (HDs). Diverse clusters were detected in BC-mouse (BC-M) plasma components involving immunoglobulins and complements unlike HD-M, and there was a significant diversity in CH401MAP-specific IgG titers in BC-M. The number of B cell clones producing high CH401MAP-specific IgG was not increased by immunization in BC-M unlike HD-M. These results demonstrated that the humoral immunity of BCs appeared as diverse phenotypes different from HDs in hu-PBL hIL-4 NOG mice, which may provide important information for the study of personalized medicine.