bluuebunny/crossref_metadata_2025 huggingface dataset:
Cephalometric measures correlate with polysomnography parameters in individuals with midface deficiency
Authors: Bittar Renato Fortes , Duailibi Sílvio Eduardo , Prado Gabriela Pereira Ribeiro , Ferreira Lydia Masako , Pereira Max Domingues
Published: April 2021

To determine the association between cephalometric measurements and polysomnographic parameters in Brazilian patients with midface deficiency. This was a primary, clinical, observational, longitudinal, retrospective, analytical, and single-center study. Forty-eight patients with midface deficiency were divided into two groups as follows: those who underwent surgically assisted rapid palatal expansion (SARME) and those who received maxillary advancement (MA). Pre- and post-operative cephalometric and polysomnography measurements were obtained. Pearson's correlation was used to verify the presence of any significant associations between PSG scores and cephalometric measurements. Associations between BMI (Body Mass Index) and AHI (Apnea Hypopnea Index) as well as arousals were observed. In the SARME group, associations between AHI and SNA, UAS and MP-H, arousals and SNA, and Co-A and MP-H were noted. Associations between AHI and Co-A, PoOr-A and MP-H, arousals and UAS, and between minimum saturation of O2 and SNA, SNB, and Co-A were observed in the MA group. This study demonstrates the alterations in the middle third of the face that were related to sleep disturbance. In addition, it shows the associations between the polysomnographic parameters and the cephalometric representations corresponding to the analyzed deformities and transverse or anteroposterior maxillary deficiencies.
Fitness for purpose of stabilized stool samples for bile acid metabolite analyses
Authors: Neuberger-Castillo Lorie , Ammerlaan Wim , Betsou Fay
Published: April 2021

Biobanks and cohort studies are increasingly utilizing chemical stabilizers to collect and store stool samples for downstream DNA-based microbiome analyses. While stabilizers permit ambient-temperature collection and storage of samples for gut microbiome studies, the use of the same sample type for downstream metabolomics assays has not been explored. Microbiome-metabolomics analysis of fecal samples is increasingly getting attention to further elucidate the mechanisms by which the gut microbiota influences the host. In this study, we evaluated fitness-for-purpose of OMNIgene-GUT-collected stool samples for downstream metabolomics assays in the scope of fecal bile acids (BA) quantification. Biocrates Bile Acids Kit was used for the quantification of BA from eight healthy donors’ samples collected in (1) OMNIgene-GUT kit and (2) snap frozen in −80 °C in duplicates. A highly selective reversed phase LC–MS/MS analysis method in negative ion multiple reaction monitoring (MRM) detection mode was applied to determine the BA concentrations in each sample.Total fecal BA levels were detectable in OMNIgene-GUT-collected samples (range: 29.9–903.7 pmol/mg). Paired t-test confirmed that there was a significant difference in the total BAs between the OMNIgene-GUT and snap frozen samples (p < 0.05). Extractions from snap frozen samples resulted in higher concentrations of total BAs (range: 243.7–1136.2 pmol/mg). Qualitative differences between individual donors’ BA profiles were detectable using the two sample collection methods. No significant difference was found in the relative concentrations of primary (CA, CDCA) or secondary (DCA, LCA, UDCA) unconjugated BAs to the total BA concentrations in OMNIgene-GUT-collected samples as compared with the snap frozen samples (Wilcoxon-Mann–Whitney test, p > 0.05). Passing-Bablok method comparison and correlation analyis showed a high degree of correlation in the relative concentrations of CA, CDCA, DCA and LCA between OMNIgene-GUT and snap frozen samples. For these four bile acids, the two methods are comparable at an acceptability bias of 30%. We conclude that the OMNIgene-GUT-collected stool samples are fit-for-purpose for downstream fecal bile acids analysis.
Frailty is associated with susceptibility and severity of pneumonia in older adults (A JAGES multilevel cross-sectional study)
Authors: Iwai-Saito Kousuke , Shobugawa Yugo , Aida Jun , Kondo Katsunori
Published: April 2021

Pneumonia is a leading cause of mortality among older adults worldwide. Recently, several studies reported that frailty was associated with mortality among older adults hospitalized due to respiratory infectious diseases, including pneumonia. However, it is unknown whether frailty is associated with susceptibility to and severity of pneumonia in functionally-independent community-dwelling older adults. In this study, we examined whether frailty increased the susceptibility to pneumonia and hospitalization in older adults. We used cross-sectional data from the Japan Gerontological Evaluation Study; the data was collected by using mail-based, self-reported questionnaires from 177,991 functionally-independent community-dwelling older adults aged ≥ 65 years. Our results showed that frailty was significantly associated with both occurrence of and hospitalization due to pneumonia after adjustments with covariates; (Preference ratio {PR} 1.92, 95% confidence interval {95% CI} [1.66–2.22] and PR 1.80, 95% CI [1.42–2.28], respectively, p < 0.001 for the both). Pre-frailty was associated only with the occurrence of pneumonia. Besides, the instrumental activity of daily living, physical strength, nutrition status, oral function, homeboundness, and depression status in frail older adults were associated with either or both occurrence of and hospitalization due to pneumonia. Our results suggest that frailty influenced the susceptibility to and severity of pneumonia in older adults.
Application of DBN and GWO-SVM in analog circuit fault diagnosis
Authors: Su Xiyuan , Cao Changqing , Zeng Xiaodong , Feng Zhejun , Shen Jingshi , Yan Xu , Wu Zengyan
Published: April 2021

For large-scale integrated electronic equipment, the complex operating mechanisms make fault detection very difficult. Therefore, it is important to accurately identify analog circuit faults in a timely manner. To overcome this problem, this paper proposes a novel fault diagnosis method based on the deep belief network (DBN) and restricted Boltzmann machine (RBM) optimized by the gray wolf optimization (GWO) algorithm. First, DBN is used to extract the deep features of the analog circuit output signal. Then, GWO is used to optimize the penalty factor c and kernel parameter g of support vector machine (SVM). Finally, GWO-SVM is used to diagnose the signal features extracted by the DBN. Fault diagnosis simulation was conducted for the Sallen–Key band-pass filter and a four-opamp biquad highpass filter. The experimental results show that compared with the existing algorithms, the algorithm proposed in this paper improves the accuracy of Sallen–Key bandpass filter circuit to 100% and shortens the fault diagnosis time by about 90%; for four-opamp biquad highpass filter, the accuracy rate has increased to 99.68%, and the fault diagnosis time has been shortened by approximately 75%, and reduce hundreds of iterations. Moreover, the experimental results reveal that the proposed fault diagnosis method greatly improves the accuracy of analog circuit fault diagnosis, which solves a major problem in analog circuitry and has great significance for the future development of relevant applications.
The FCGR3A 158 V/V-genotype is associated with decreased survival of renal allografts with chronic active antibody-mediated rejection
Authors: Litjens Nicolle , Peeters Annemiek , Gestel Judith Kal-van , Klepper Mariska , Betjes Michiel
Published: April 2021

Natural killer (NK) cells express the Fc-gamma receptor CD16 (FCGR3A) and could therefore mediate renal endothelial cell damage in cases of chronic-active antibody mediated rejection (c-aABMR). The V/V-genotype of the FCGR3A 158 F/V polymorphism is associated with increased CD16 expression and cytotoxicity by NK cells. This study evaluated whether this genotype is associated with the diagnosis of c-aABMR and renal allograft loss. The distribution of the FGCR3A 158 F/V-genotypes was not different for c-aABMR cases (N = 133) compared to control kidney transplant recipients (N = 116, P = 0.65). The V-allele was associated with increased median fluorescence intensity (MFI) of CD16 by NK cells (MFI 3.5 × 104 versus 1.3 × 104 for V/V and F/F-genotype, P < 0.001). Increased expression of CD16 correlated with CD16-dependent degranulation of NK cells (R = 0.4; P = 0.02). Moreover, the V/V-genotype was significantly associated with a higher glomerulitis score and an independent risk factor (HR 1.98; P = 0.04) for decreased allograft survival. Death-censored graft survival in c-aABMR cases at 3 years follow-up was 33% for the FCGR3A 158 V/V-genotype versus 62% for the F/F-genotype. In conclusion, the FCGR3A V/V-genotype increases CD16-mediated NK cell cytotoxicity and is associated with a higher glomerulitis score and decreased graft survival in cases with c-aABMR.
COPD significantly increases cerebral and cardiovascular events in hypertensives
Authors: Perticone Maria , Maio Raffaele , Caroleo Benedetto , Suraci Edoardo , Corrao Salvatore , Sesti Giorgio , Perticone Francesco
Published: April 2021

Essential hypertension and chronic obstructive pulmonary disease often coexist in the same patient. The aim of this study was to evaluate whether the addition of chronic obstructive pulmonary disease modifies the risk of cardiovascular events in hypertensives. We enrolled 1728 hypertensives. Study outcomes included fatal and non-fatal cardiovascular stroke and myocardial infarction, and cardiovascular death. During a mean follow-up of 57 months there were 205 major adverse cardiovascular events (2.47 per 100 pts/yr): cardiac (n117; 1.41 per 100 pts/yr) and cerebrovascular (n = 77; 0.93 per 100 pts/yr). In hypertensives with chronic obstructive pulmonary disease we observed a greater number of cardiovascular events than in hypertensives without respiratory disease (133 [5.55 per 100 pts/yr) vs 72 [1.22 per 100 pts/yr], respectively. The addition of chronic obstructive pulmonary disease to hypertension increased the incidence of total and non-fatal stroke of more than nine- (2.42 vs 0.32 per 100 pts/yr) and 11-fold (2.09 vs 0.22 per 100 pts/yr), respectively. The same trend was observed for total (2.88 vs 0.81 per 100 pts/yr) and non-fatal (2.67 vs 0.79 per 100 pts/y) myocardial infarction. The presence of chronic obstructive pulmonary disease in hypertensives significantly increases the risk of stroke, myocardial infarction and major adverse cardiovascular events.
Matrix model for collective phenomena in electron beam’s longitudinal phase space
Authors: Perosa Giovanni , Di Mitri Simone
Published: April 2021

The possibility to predict, characterize and minimize the presence of spurious harmonic content in the longitudinal profile of high brightness electron beams, namely the microbunching instability, has become vital to ensure accurate modeling and reliable operation of radiofrequency and plasma-based linear accelerators such as those driving free-electron lasers. Recently, the impact of intrabeam scattering (IBS) on the instability has been experimentally demonstrated by the authors. This work complements that experimental study by extending existing theories in a self-consistent, piece-wise calculation of IBS in single pass linacs and multi-bend transfer lines. New expressions for the IBS are introduced in two different semi-analytical models of microbunching. The accuracy of the proposed models and the range of beam parameters to which they apply is discussed. The overall modeling turns out to be a fast comprehensive tool for the optimization of linac-driven free-electron lasers.
Enhancement in physicochemical parameters and microbial populations of mushrooms as influenced by nano-coating treatments
Authors: Sami Rokayya , Elhakem Abeer , Almushhin Amina , Alharbi Mona , Almatrafi Manal , Benajiba Nada , Fikry Mohammad , Helal Mahmoud
Published: April 2021

White button mushrooms are greatly high perishable and can deteriorate within a few days after harvesting due to physicomechanical damage, respiration, microbial growth of the delicate epidermal structure. For that reason, the present research work was applied to evaluate the effect of chitosan combination with nano-coating treatments on physicochemical parameters and microbial populations on button mushrooms at chilling storage. Nano coating with the addition of nisin 1% (CHSSN/M) established the minimum value for weight loss 12.18%, maintained firmness 11.55 N, and color index profile. Moreover, O2% rate of (CHSSN/M) mushrooms was the lowest at 1.78%; while the highest rate was reported for CO2 24.88% compared to the untreated samples (Control/M) on day 12. Both pH and total soluble solid concentrations increased during storage. Results reported that the (CHSS/M) mushroom significantly (P < 0.05) reduced polyphenol oxidase activity (24.31 U mg−1 Protein) compared with (Control/M) mushrooms that increased faster than the treated samples. (CHSSN/M) treatment was the most efficient in the reduction of yeast and mold, aerobic plate microorganisms (5.27–5.10 log CFU/g), respectively. The results established that nano-coating film might delay the aging degree and accompany by marked prolongation of postharvest mushroom freshness.
A non-volatile cryogenic random-access memory based on the quantum anomalous Hall effect
Authors: Alam Shamiul , Hossain Md Shafayat , Aziz Ahmedullah
Published: April 2021

The interplay between ferromagnetism and topological properties of electronic band structures leads to a precise quantization of Hall resistance without any external magnetic field. This so-called quantum anomalous Hall effect (QAHE) is born out of topological correlations, and is oblivious of low-sample quality. It was envisioned to lead towards dissipation-less and topologically protected electronics. However, no clear framework of how to design such an electronic device out of it exists. Here we construct an ultra-low power, non-volatile, cryogenic memory architecture leveraging the QAHE phenomenon. Our design promises orders of magnitude lower cell area compared with the state-of-the-art cryogenic memory technologies. We harness the fundamentally quantized Hall resistance levels in moiré graphene heterostructures to store non-volatile binary bits (1, 0). We perform the memory write operation through controlled hysteretic switching between the quantized Hall states, using nano-ampere level currents with opposite polarities. The non-destructive read operation is performed by sensing the polarity of the transverse Hall voltage using a separate pair of terminals. We custom design the memory architecture with a novel sensing mechanism to avoid accidental data corruption, ensure highest memory density and minimize array leakage power. Our design provides a pathway towards realizing topologically protected memory devices.
A next-generation sequencing study on mechanisms by which restraint and social instability stresses of male mice alter offspring anxiety-like behavior
Authors: Kong Qiao-Qiao , Tian Xiao-Dan , Wang Jia , Yuan Hong-Jie , Ning Shu-Fen , Luo Ming-Jiu , Tan Jing-He
Published: April 2021

Pathophysiological mechanisms for depression/anxiety are largely unknown. Evidence for transgenerational transmission of acquired epigenetic marks remains limited. We bred unstressed (US) female mice with adolescently restraint-stressed (RS), social instability-stressed (SI) or US males to produce RS, SI and control F1 offspring, respectively. Compared to controls, while paternal RS decreased anxiety-like behavior (ALB) in both female and male offspring, paternal SI increased ALB only in female offspring. Next-generation sequencing and bioinformatics using RS and SI female offspring identified 5 candidate anxiety-transmitting (CAT) genes; each showed a consistent pattern of DNA methylation from F0 spermatozoa through F1 blastocysts to fetal and adult hippocampi. Further analyses validated 4 CAT genes, demonstrated that paternal SI caused ALB differences between male and female offspring through modifying the CAT genes, and indicated a strong correlation between inflammation and ALB pathogenesis and an important function for intronic DNA methylation in regulating ALB-related genes. In conclusion, this study identified important CAT genes and suggested the possibility that stresses on males might alter offspring’s ALB by modifying sperm DNA methylation.
Description of optochin-resistant Streptococcus pneumoniae due to an uncommon mutation in the atpA gene and comparison with previously identified atpC mutants from Brazil
Authors: Souza Aline R. V. , de Pina Sandrine E. C. M. , Costa Natália S. , Neves Felipe P. G. , Merquior Vânia L. C. , Peralta José Mauro , Pinto Tatiana C. A. , Teixeira Lúcia M.
Published: April 2021

Optochin susceptibility testing is a major assay used for presumptive identification of Streptococcus pneumoniae. Still, atypical optochin-resistant (Optr) pneumococci have been reported and this phenotype has been attributed to nucleotide substitutions in the genes coding for the F0F1ATPase. While substitutions in the atpC gene (c-subunit of ATPase) are more common and better characterized, data on mutations in the atpA (a-subunit) are still limited. We have characterized five Optr isolates presenting alterations in the atpA (Trp206Cys in four isolates and Trp206Ser in one isolate), constituting the first report of such mutations in Brazil. Most of the Optr isolates consisted of heterogeneous populations. Except for Opt MICs and the nucleotide changes in the atpA gene, Optr and Opts subpopulations originating from the same culture had identical characteristics. In addition, we compared phenotypic and genetic characteristics of these atpA mutants with those of atpC mutants previously identified in Brazil. No structural alterations were detected among predicted proteins, regardless of mutations in the coding gene, suggesting that, despite the occurrence of mutations, protein structures tend to be highly conserved, ensuring their functionalities. Phylogenetic analysis revealed that atypical Optr strains are true pneumococci and Opt resistance does not represent any apparent selective advantage for clinical isolates.
Undulation of a moving fluid membrane pushed by filament growth
Authors: Noguchi Hiroshi , Pierre-Louis Olivier
Published: April 2021

Biomembranes experience out-of-equilibrium conditions in living cells. Their undulation spectra are different from those in thermal equilibrium. Here, we report on the undulation of a fluid membrane pushed by the stepwise growth of filaments as in the leading edge of migrating cells, using three-dimensional Monte Carlo simulations. The undulations are largely modified from equilibrium behavior. When the tension is constrained, the low-wave-number modes are suppressed or enhanced at small or large growth step sizes, respectively, for high membrane surface tensions. In contrast, they are always suppressed for the tensionless membrane, wherein the wave-number range of the suppression depends on the step size. When the membrane area is constrained, in addition to these features, a specific mode is excited for zero and low surface tensions. The reduction of the undulation first induces membrane buckling at the lowest wave-number, and subsequently, other modes are excited, leading to a steady state.
Prediction of ambulatory outcome in patients with corona radiata infarction using deep learning
Authors: Kim Jeoung Kun , Choo Yoo Jin , Shin Hyunkwang , Choi Gyu Sang , Chang Min Cheol
Published: April 2021

Deep learning (DL) is an advanced machine learning approach used in diverse areas such as bioinformatics, image analysis, and natural language processing. Here, using brain magnetic resonance imaging (MRI) data obtained at early stages of infarcts, we attempted to develop a convolutional neural network (CNN) to predict the ambulatory outcome of corona radiata infarction at six months after onset. We retrospectively recruited 221 patients with corona radiata infarcts. A favorable outcome of ambulatory function was defined as a functional ambulation category (FAC) score of ≥ 4 (able to walk without a guardian’s assistance), and a poor outcome of ambulatory function was defined as an FAC score of < 4. We used a CNN algorithm. Of the included subjects, 69.7% (n = 154) were assigned randomly to the training set and the remaining 30.3% (n = 67) were assigned to the validation set to measure the model performance. The area under the curve was 0.751 (95% CI 0.649–0.852) for the prediction of ambulatory function with the validation dataset using the CNN model. We demonstrated that a CNN model trained using brain MRIs captured at an early stage after corona radiata infarction could be helpful in predicting long-term ambulatory outcomes.
The relationship between plasma taurine levels in early pregnancy and later gestational diabetes mellitus risk in Chinese pregnant women
Authors: Liu Peng Ju , Liu Yanping , Ma Liangkun , Liu Lihong , Hu Ting , An Zhuoling , Yao Ai Min , Xia Liang Yu
Published: April 2021

Taurine is a sulfur-containing amino acid that plays an important role in glucose homeostasis. However, it remains unknown whether the plasma concentration of taurine affects the risk of later gestational diabetes mellitus (GDM) development. We recruited 398 singleton-pregnancy women and followed up them during the course of pregnancy. We measured the plasma concentrations of taurine based on blood samples collected at nine-week gestation on average and obtained the data regarding both mothers and their infants from medical records. There was a significant increment in the mean value of HOMA-β across the tertiles of plasma taurine in multiparous women rather than in primiparous women. After adjustment for confounders, an increase of plasma taurine was nominally and significantly associated with a decrease risk of GDM; moreover, women with plasma taurine concentrations in the lowest tertile and in the second tertile had a higher risk of GDM than did those with plasma taurine in the top tertile in multiparous women other than primiparous women. Plasma taurine level seems to be associated with insulin secretion in early pregnancy and be more closely associated with β-cell function and the risk of GDM development in multiparas in comparison to primiparas.
Side effects of the metacognitive training for depression compared to a cognitive remediation training in patients with depression
Authors: Dietrichkeit Mona , Hagemann-Goebel Marion , Nestoriuc Yvonne , Moritz Steffen , Jelinek Lena
Published: April 2021

Although awareness of side effects over the course of psychotherapy is growing, side effects are still not always reported. The purpose of the present study was to examine side effects in a randomized controlled trial comparing Metacognitive Training for Depression (D-MCT) and a cognitive remediation training in patients with depression. 84 patients were randomized to receive either D-MCT or cognitive remediation training (MyBrainTraining) for 8 weeks. Side effects were assessed after the completion of each intervention (post) using the Short Inventory of the Assessment of Negative Effects (SIAN) and again 6 months later (follow-up) using the Negative Effects Questionnaire (NEQ). D-MCT and MyBrainTraining did not differ significantly in the number of side effects. At post assessment, 50% of the D-MCT group and 59% of the MyBrainTraining group reported at least one side effect in the SIAN. The most frequently reported side effect was disappointment in subjective benefit of study treatment. At follow-up, 52% reported at least one side effect related to MyBrainTraining, while 34% reported at least one side effect related to the D-MCT in the NEQ. The most frequently reported side effects fell into the categories of “symptoms” and “quality”. Our NEQ version was missing one item due to a technical error. Also, allegiance effects should be considered. The sample size resulted in low statistical power. The relatively tolerable number of side effects suggests D-MCT and MyBrainTraining are safe and well-received treatment options for people with depression. Future studies should also measure negative effects to corroborate our results.
Discovering key transcriptomic regulators in pancreatic ductal adenocarcinoma using Dirichlet process Gaussian mixture model
Authors: Hossain Sk Md Mosaddek , Halsana Aanzil Akram , Khatun Lutfunnesa , Ray Sumanta , Mukhopadhyay Anirban
Published: April 2021

Pancreatic Ductal Adenocarcinoma (PDAC) is the most lethal type of pancreatic cancer, late detection leading to its therapeutic failure. This study aims to determine the key regulatory genes and their impacts on the disease’s progression, helping the disease’s etiology, which is still mostly unknown. We leverage the landmark advantages of time-series gene expression data of this disease and thereby identified the key regulators that capture the characteristics of gene activity patterns in the cancer progression. We have identified the key gene modules and predicted the functions of top genes from a reconstructed gene association network (GAN). A variation of the partial correlation method is utilized to analyze the GAN, followed by a gene function prediction task. Moreover, we have identified regulators for each target gene by gene regulatory network inference using the dynamical GENIE3 (dynGENIE3) algorithm. The Dirichlet process Gaussian process mixture model and cubic spline regression model (splineTimeR) are employed to identify the key gene modules and differentially expressed genes, respectively. Our analysis demonstrates a panel of key regulators and gene modules that are crucial for PDAC disease progression.
Author Correction: Kawasaki Disease following administration of 13-valent pneumococcal conjugate vaccine in young children
Authors: Yung Chee Fu , Ma Xiangmei , Cheung Yin Bun , Oh Bee Khiam , Soh Sally , Thoon Koh Cheng
Published: April 2021

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Universal superlattice potential for 2D materials from twisted interface inside h-BN substrate
Authors: Zhao Pei , Xiao Chengxin , Yao Wang
Published: April 2021

Lateral superlattices in 2D materials provide a powerful platform for exploring intriguing quantum phenomena, which can be realized through the proximity coupling in forming moiré pattern with another layer. This approach, however, is invasive, material-specific, and requires small lattice mismatch and suitable band alignment, largely limited to graphene and transition metal dichalcogenides (TMDs). Hexagonal boron nitride (h-BN) of antiparallel (AA′) stacking has been an indispensable building block, as dielectric substrates and capping layers for realizing high-quality van der Waals devices. There is also emerging interest on parallelly aligned h-BN of Bernal (AB) stacking, where the broken inversion and mirror symmetries lead to out-of-plane electrical polarization. Here we show the that laterally patterned electrical polarization at a nearly parallel interface within the h-BN substrate can be exploited to create noninvasively a universal superlattice potential in general 2D materials. The feasibility is demonstrated by first principle calculations for monolayer MoSe2, black phosphorus, and antiferromagnetic MnPSe3 on such h-BN. The potential strength can reach 200 meV, customizable in this range through choice of distance of target material from the interface in h-BN. We also find sizable out-of-plane electric field at the h-BN surface, which can realize superlattice potential for interlayer excitons in TMD bilayers as well as dipolar molecules. The idea is further generalized to AB-stacked h-BN subject to torsion with adjacent layers all twisted with an angle, which allows the potential and field strength to be scaled up with film thickness, saturating to a quasi-periodic one with chiral structure.
Upconversion nanoparticle–Ag@C@Ag composite films for rapid temperature sensing
Authors: Huang Hu , Wu Lingqiong , Cheng Shengbin , Wu Xiaofeng , Zhan Shiping , Liu Yunxin
Published: April 2021

The response rate of optical temperature sensing of upconversion nanoparticles is significantly improved by coupling with Ag@C@Ag nanoparticles which have excellent thermal conductivity.
Deformation mechanisms of Inconel-718 at the nanoscale by molecular dynamics
Authors: Faiyad Abrar , Munshi Md Adnan Mahathir , Islam Md Mahbubul , Saha Sourav
Published: April 2021

Our atomistic study reveals the deformation mechanism of Inconel-718 using dislocation physics under different types of loading. The cooling rates used during the heat treatment largely determine the mode of fracture (brittle or ductile) of the alloy.
Racemases and epimerases operating through a 1,1-proton transfer mechanism: reactivity, mechanism and inhibition
Authors: Lloyd Matthew D. , Yevglevskis Maksims , Nathubhai Amit , James Tony D. , Threadgill Michael D. , Woodman Timothy J.
Published: April 2021

Racemases and epimerases using a deprotonation/reprotonation mechanism are important drug targets and have important biotechnological applications. This review focuses on the reactivity, mechanism, and inhibition of these versatile enzymes.
Single molecule fluorescence imaging of nanoconfinement in porous materials
Authors: Dong Bin , Mansour Nourhan , Huang Teng-Xiang , Huang Wenyu , Fang Ning
Published: April 2021

This review surveys the application of single molecule fluorescence imaging in understanding the nanoconfinement effect in porous materials, with a focus on the mass transport behaviors and reaction dynamics during the heterogeneous catalysis.
Electrochemical synthesis of sulfamides
Authors: Blum Stephan P. , Schäffer Lukas , Schollmeyer Dieter , Waldvogel Siegfried R.
Published: April 2021

Organic electrosynthesis enables the formation of symmetrical sulfamides directly from anilines and SO2 mediated by iodide.
The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study
Authors: Gerasimova Daria P. , Saifina Alina F. , Zakharychev Dmitry V. , Fayzullin Robert R. , Kurbangalieva Almira R. , Lodochnikova Olga A.
Published: April 2021

The formation of two racemic conglomerates with different crystal structures was found.
Two-dimensional topological insulators exfoliated from Na3Bi-like Dirac semimetals
Authors: Guo Xiaoqiu , Yu Ruixin , Jiang Jingwen , Ma Zhuang , Zhang Xiuwen
Published: April 2021

Exfoliatable non-vdW two-dimensional topological insulators are derived from three-dimensional Dirac semimetal Na3Bi, possessing moderate quantum spin Hall gaps that can be increased by external strain, as well as hidden Rashba-like spin textures.
Synthesis of V-shaped MnO2 nanostructure and its composites with reduced graphene oxide for supercapacitor application
Authors: Jangu Surendra , Satpathy Biraj Kanta , Raju Mula , Jacob Chacko , Pradhan Debabrata
Published: April 2021

Synthesis of MnO2 nanostructures using a microwave-assisted solvothermal method by varying the acetic acid amount at 150 °C for 15 min.
Solvent mediated reversible solid state photochromism of {Mo72Fe30} Keplerate
Authors: Tandekar Kesar , Mishra Neeraj Kumar , Supriya Sabbani
Published: April 2021

The photo-inactive {Mo72Fe30} shows reversible solid-state photochromism via post-synthetic modification involving the wetting of its surface with DMF. This photo-activation is based on the donor–acceptor interactions at the solid–liquid interface.
Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate
Authors: Bertini Simone , Rahaman Motiar , Dutta Abhijit , Schollhammer Philippe , Rudnev Alexander V. , Gloaguen Fredric , Broekmann Peter , Albrecht Martin
Published: April 2021

Adding value to CO2: Tunable carbene complexes of Earth-abundant nickel catalyze the electrochemical reduction of CO2 to formate with high efficiency and selectivity and without formation of any byproducts such as CO.
TEMPO driven thiol–ene reaction for the preparation of polymer functionalized silicon wafers
Authors: Hafeez Sumbul , Nebhani Leena
Published: April 2021

TEMPO driven thiol–ene reaction was utilized to prepare silicon (Si) wafers modified with a variety of polymer brushes, such as poly(N-isopropyl acrylamide), polystyrene, poly(isobornyl acrylate), poly(acrylic acid), and functionalized cysteine.
Solanum steroidal glycoalkaloids: structural diversity, biological activities, and biosynthesis
Authors: Zhao Da-Ke , Zhao Yi , Chen Sui-Yun , Kennelly Edward J.
Published: April 2021

Chemical structures of typical Solanum steroidal glycoalkaloids from eggplant, tomato, and potato.
Towards fluorinated Ruddlesden–Popper perovskites with enhanced physical properties: a study on (3-FC6H4CH2CH2NH3)2PbI4 single crystals
Authors: Tian Xiangxin , Hu Zhaoxing , Gao Zeliang , Zhang Yongzhuan , Li Chuanming , Qi Hongwei , Liu Xiuping , Zheng Rongkun , Xu Jiangtao , Liu Jingquan
Published: April 2021

This work presents the design, synthesis, crystal growth, and property characterization of a fluorinated Ruddlesden–Popper perovskite (3-FPEA)2PbI4.
Ab initio two-sites occupancy and broadband near-infrared emission of Cr3+ in Li2MgZrO4
Authors: Zhou Xue , Xiang Jinmeng , Zheng Jiming , Zhao Xiaoqi , Suo Hao , Guo Chongfeng
Published: April 2021

Ultra-broad band NIR emitting phosphor Li2MgZrO4:Cr3+ with two luminescent centers for LEDs.
Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation
Authors: Samantha Ariela , Damnjanović Jasmina , Iwasaki Yugo , Nakano Hideo , Vrielink Alice
Published: April 2021

Phospholipase D (PLD) is an enzyme useful for the enzymatic modification of phospholipids. In the presence of primary alcohols, the enzyme catalyses transphosphatidylation of the head group of phospholipid substrates to synthesise a modified phospholipid product. However, the enzyme is specific for primary alcohols and thus the limitation of the molecular size of the acceptor compounds has restricted the type of phospholipid species that can be synthesised. An engineered variant of PLD from Streptomyces antibioticus termed TNYR SaPLD was developed capable of synthesising 1-phosphatidylinositol with positional specificity of up to 98%. To gain a better understanding of the substrate binding features of the TNYR SaPLD, crystal structures have been determined for the free enzyme and its complexes with phosphate, phosphatidic acid and 1-inositol phosphate. Comparisons of these structures with the wild-type SaPLD show a larger binding site able to accommodate a bulkier secondary alcohol substrate as well as changes to the position of a flexible surface loop proposed to be involved in substrate recognition. The complex of the active TNYR SaPLD with 1-inositol phosphate reveals a covalent intermediate adduct with the ligand bound to H442 rather than to H168, the proposed nucleophile in the wild-type enzyme. This structural feature suggests that the enzyme exhibits plasticity of the catalytic mechanism different from what has been reported to date for PLDs. These structural studies provide insights into the underlying mechanism that governs the recognition of myo-inositol by TNYR SaPLD, and an important foundation for further studies of the catalytic mechanism.
Bioengineered in vitro models of leukocyte–vascular interactions
Authors: Lee Jaehyun , Breuer Cort B. , Lee Esak
Published: April 2021

Leukocytes continuously circulate our body through the blood and lymphatic vessels. To survey invaders or abnormalities and defend our body against them, blood-circulating leukocytes migrate from the blood vessels into the interstitial tissue space (leukocyte extravasation) and exit the interstitial tissue space through draining lymphatic vessels (leukocyte intravasation). In the process of leukocyte trafficking, leukocytes recognize and respond to multiple biophysical and biochemical cues in these vascular microenvironments to determine adequate migration and adhesion pathways. As leukocyte trafficking is an essential part of the immune system and is involved in numerous immune diseases and related immunotherapies, researchers have attempted to identify the key biophysical and biochemical factors that might be responsible for leukocyte migration, adhesion, and trafficking. Although intravital live imaging of in vivo animal models has been remarkably advanced and utilized, bioengineered in vitro models that recapitulate complicated in vivo vascular structure and microenvironments are needed to better understand leukocyte trafficking since these in vitro models better allow for spatiotemporal analyses of leukocyte behaviors, decoupling of interdependent biological factors, better controlling of experimental parameters, reproducible experiments, and quantitative cellular analyses. This review discusses bioengineered in vitro model systems that are developed to study leukocyte interactions with complex microenvironments of blood and lymphatic vessels. This review focuses on the emerging concepts and methods in generating relevant biophysical and biochemical cues. Finally, the review concludes with expert perspectives on the future research directions for investigating leukocyte and vascular biology using the in vitro models.
Lingual Exercise in Older Veterans With Dysphagia: A Pilot Investigation of Patient Adherence
Authors: Krekeler Brittany N. , Yee Joanne , Daggett Sarah , Leverson Glen , Rogus-Pulia Nicole
Published: April 2021

Purpose

Adherence is a concern in dysphagia management. Poor adherence with recommendations can negatively affect treatment efficacy and patient outcomes. For exercise-based therapies, low adherence can alter the dose of exercise delivered to the muscle, which can diminish impact of exercise. It has been established that low adherence is a problem in dysphagia treatments; however, relationships among levels of adherence and outcomes from exercise-based interventions have not been explored.

Method

In this retrospective pilot study, data were collected from a multicenter clinical demonstration program in the Veterans Affairs hospital system to examine the relationships between patient adherence with a device-facilitated lingual exercise regimen. Outcomes were compared pre- and posttreatment using a paired
t
test or Wilcoxon matched-pairs signed-ranks test, and relationships among adherence and outcome measures were evaluated using Pearson or Spearman rank correlation coefficients, as appropriate.

Results

Patient adherence was evenly distributed across participants: Adherence at the front sensor was 59.3% (
SD
= 28.2), ranging from 5.5% to 95.8%; the back sensor adherence was 55.9% (
SD
= 29.8), ranging from 1.1% to 97.2%. Maximum isometric pressure (MIP) generation, at both the front and back sensors, was increased from pre- to posttreatment (
p
< .0001, front;
p
= .008, back). Functional Oral Intake Scale (FOIS) scores were also significantly improved at the posttreatment time point as compared to baseline (
p
= .005). However, there were no significant correlations among adherence and outcome measures (front sensor adherence vs. ΔMIP,
r
= −.161,
p
= .342; back sensor adherence vs. ΔMIP,
r
= .002,
p
= .991; front sensor adherence vs. ΔFOIS,
r
= −.183,
p
= .279; back sensor adherence vs. ΔFOIS,
r
= −.160,
p
= .399).

Conclusions

These findings suggest that patient adherence with this lingual exercise program was not related to the increases in lingual pressure generation or improvement in functional oral intake observed in this cohort. These preliminary findings suggest the need for future, prospective, controlled, and randomized clinical trials to further investigate patient adherence with a lingual exercise program and related impacts of adherence on exercise dose and swallowing-related outcomes.
Comparison and analysis of seismic isolation, energy dissipation structure and traditional seismic structure
Authors: Jiang Shu-jiang , Yao Shun-zhong , Liu De-wen
Published: April 2021

This paper uses SAP2000 finite element software to perform nonlinear time history analysis of nine structural systems, and compares the period, total floor displacement, base shear force, vertex displacement, and top acceleration of the structure under the action of an 8-degree rare earthquake. The research results show that seismic isolation and damping technology can effectively reduce the impact of earthquakes on structures.
Experimental Study on In-situ Remediation of Compound Contaminated Sediment of a River in Shenzhen with Chemicals
Authors: De-yong Wang , Jing Wang , Qing-jun Zeng , Kai-fang Deng
Published: April 2021

Aiming at the black and odor problem of the gushing water and sediment of a river in Shenzhen, based on the results of sampling and testing, we independently developed an in-situ oxidation remediation agent for polluted sediment composed of oxidants, flocculants and pH regulators, and carried out in-situ repair of chemical agents without and with overlying water indoor test to verify. The test and monitoring results show that the agent can not only significantly reduce the ammonia nitrogen and organic matter content in the bottom sludge, but also can better remove the ammonia nitrogen in the overlying black and odorous water. In order to get closer to the actual situation, using the reagents developed to repair contaminated sediments at a certain flow rate has also achieved good experimental results.
Research on Hardware Structure of Intelligent Accompanying Tool Car in Dispatching Automation Computer Room
Authors: Sun Li , Li Tianquan , Liu Dayong , Wang Daliang , Song Yufei , Liu Xiaohang , Cao Xudong , Shi Yu
Published: April 2021

Aiming at the problems of complicated equipment types, low work efficiency in the computer room and safety management of the whole work process in the current dispatching automation computer room, the research on the intelligent companion tool cart with the management function of tools and equipment is proposed. Through the hardware research on the overall structure of the tool trolley according to the needs of the machine room work, the design and development of a three-layer intelligent companion tool trolley provides a self-cleaning operation platform for the maintenance staff of the automated machine room. Afterwards, hardware researches on sensors, communication interfaces, toolboxes, and power supplies were carried out. The power supply conducts hardware research, designs the management method of radio frequency scanning tools, and realizes the management of necessary tools and common spare parts for maintenance in the computer room. At the same time, it automatically accompanies and tracks the whole process of video recording, and realizes the safety control and intelligent management of tools and tools for debugging special laptops, which provide a basis for future software design.
Optimization of PSVR parameters of condenser based on MATLAB/Simulink simulation
Authors: Li Zhiyuan , Wang Kewen , Liu Yanhong
Published: April 2021

Installing a power system voltage regulator (PSVR) on the condenser can enhance the dynamic voltage control capability of the local high-voltage bus voltage, but there are still few studies on the optimization of PSVR parameters. The dynamic model of the condenser is built to determine the analytical expression between the system voltage disturbance and the change of the control target, and the influence trend of PSVR on the dynamic voltage characteristics of the condenser is analyzed. Furthermore, in the MATLAB/Simulink environment, a PSVR-containing condenser model is built, and a quantitative index for evaluating the phase-frequency characteristics of the condenser is proposed. Based on this index, the PSVR time constant is optimized through the simulation of the dynamic voltage characteristics of the condenser, and using eigenvalue root locus method combined with dynamic simulation to coordinate PSVR gain coefficient, achieve PSVR parameter optimization. The simulation results under the single-machine and three-machine systems show that after the PSVR parameter optimization, the voltage oscillation mode of the condenser is effectively improved.
Gas Steady-state Diffusion in Fractal Porous Media
Authors: Zhehua Du
Published: April 2021

Gas diffusion in fractal pores does not follow the classic Fick’s and Knudsen’s laws, so more research on gas diffusion in fractal porous media is needed. Fractal pore models are generated using the random walk method. The gas diffusion governing equations for the fractal pores are derived from the classic kineti theory of gases. The gas diffusion model is used to study the gas diffusion in fractal porous meida and to determine steady-state diffusion coefficient formulas. The results show that the diffusion coefficient is proportional to the mean proe diameter, porosity, and the exponetial function of the fractal dimension in the Knudsen diffusion regime. The diffusion coefficient is not only related to the three pore parameters but is also related to the molecular mean free path in the configurational diffusion regime.
Discriminant Method of Sand Liquefaction
Authors: Peng Xiaodong
Published: April 2021

With the proposal of 1.8 billion mus of cultivated land red line and the rise of land reclamation in China, more and more national defense and civil projects are built on poor geological soil, such as reclamation reefs in the South China Sea. The liquefaction damage caused by earthquake, such as water spraying, grouting and surface cracks, has a great impact on such buildings, and poses a threat to people's lives and property. Therefore, it is of great significance to study the liquefaction of sand in foundation soil. Since Academician Huang Wen-xi first proposed to use indoor dynamic triaxial test to study liquefaction, a series of achievements have been made in the liquefaction of foundation soil. The research methods of sand liquefaction have developed from simple single sample of numerical simulation, numerical simulation and test. Referring to the literature at home and abroad, this paper sorted out the discriminant method of sand liquefaction, experimental study of sand liquefaction and post-liquefaction analysis.
Form-finding analysis of cable-membrane tensile structure with outer ring truss
Authors: Xudong Tao , Yousheng Yu , Xin Li
Published: April 2021

For a flexible tension structure, the first thing to do is to perform a form-finding analysis to obtain a reasonable initial state of the structure. The initial state includes the structure's own weight and the cable force distribution under the additional dead load and the corresponding geometric configuration. The geometric configuration and expectations must be ensured to be consistent with the geometry of the building. This paper used the MIDAS software to first establish the zero-state model of the structure, and then added reasonable prestress to ensure that the initial configuration of the structure under prestress, structure dead weight and additional dead load is basically the same as that under zero state, thus ensuring the feasibility and accuracy of later structural load analysis and construction process analysis, and providing ideas and methods for related projects.
The Design of Mine Encapsulated and Intrinsically Safe Explosion-proof Computers
Authors: Jun Gao
Published: April 2021

With the continuous improvement of the level of intelligence in coal mines, construction sites have put forward new requirements for the performance and compatibility of mining computers. Aiming at the field conditions of intelligent underground drilling in coal mines, this paper designs a mine-used encapsulated and intrinsically safe computer as a data processing terminal, with the characteristics of a large display screen, a moderate overall weight, powerful operating performance and multiple compatible interfaces, which can replace the explosion-proof and intrinsically safe computers in current field applications.