bluuebunny/crossref_metadata_2025 huggingface dataset:
Networked‐based H∞ control for discrete‐time slow sampling singularly perturbed systems via an improved event‐triggered approach
Authors: Hu Yue , Ma Lei , Cai Chenxiao
Published: May 2022

This paper investigates the H∞ control problem for a class of slow sampling singularly perturbed systems (S3PSs) with an improved event‐triggered method (ETM). Compared with the conventional static ETM, an improved one with time‐varying threshold is exploited to enhance the dynamic performance for the S3PSs with certain communication frequency reduction. By adjusting the threshold with the triggering error, a faster converge speed can be achieved. Sufficient conditions are derived by constructing a singular perturbation parameter (SPP) dependent Lyapunov function, with which both asymptotic stability can be guaranteed for the closed‐loop S3PSs and the ill‐conditioned numerical issues can be avoided. By resorting to the matrix inequality techniques, an ETM‐based controller can be developed within the upper bound of the SPP. Further demonstration for the feasibility of the proposed algorithm is presented by designing an ETM‐based controller for an inverted pendulum system.
Solving a category of two‐dimensional fractional optimal control problems using discrete Legendre polynomials
Authors: Rezazadeh Arezou , Avazzadeh Zakieh
Published: May 2022

In this paper, we formulate a numerical method to approximate the solution of two‐dimensional optimal control problem with a fractional parabolic partial differential equation (PDE) constraint in the Caputo type. First, the optimal conditions of the optimal control problems are derived. Then, we discretize the spatial derivatives and time derivatives terms in the optimal conditions by using shifted discrete Legendre polynomials and collocations method. The main idea is simplifying the optimal conditions to a system of algebraic equations. In fact, the main privilege of this new type of discretization is that the numerical solution is directly and globally obtained by solving one efficient algebraic system rather than step‐by‐step process which avoids accumulation and propagation of error. Several examples are tested and numerical results show a good agreement between exact and approximate solutions.
Event‐triggered control for switched delay systems with dynamic input quantization
Authors: Wang Xumei , Wu Baowei , Wang Yue‐E , Liu Lili
Published: May 2022

This paper is concerned with event‐triggered control for the switched system with time‐varying delay and dynamic input quantization. The work is aimed at solving the quantizer saturation in the finite‐level quantized control design and the mismatch caused by event‐triggered sampling and the switching. First of all, the quantization parameter updating laws are designed respectively in the case of match and mismatch between the system and the controller under the event‐triggered mechanism without Zeno behavior. Then, the total variation of Lyapunov functional is transformed into discrete time updating of the dynamic quantization parameter. A switching law and a quantized control strategy are developed to ensure the exponential stability of switched systems with delay and input quantization. At last, two examples are given to illustrate the validity of the results.
Adaptive reinforcement learning in control design for cooperating manipulator systems
Authors: Dao Phuong Nam , Liu Yen‐Chen
Published: May 2022

In this paper, an optimal motion/force hybrid control strategy based on adaptive reinforcement learning (ARL) is proposed for cooperating manipulator systems. The optimal trajectory control and constraint force factor control, by using the Moore–Penrose pseudoinverse, are addressed to design the controller corresponding to the manipulator dynamic model. In addition, a frame of a different auxiliary term and an appropriate state‐variable vector are presented to address the non‐autonomous closed system with a time‐varying desired trajectory. The simultaneous actor/critic algorithm is implemented by optimizing the squared Bellman difference to be computed from the error of control policy and optimal control input. Moreover, the constraint force factor controller is discussed by a nonlinear technique after achieving the result of the constraint force factor. The tracking and convergence of ARL‐based optimal motion/force hybrid control strategy are validated in closed‐loop systems by a proposed Lyapunov function candidate. Finally, simulation results are implemented on a constrained system using three manipulators to verify the physical implementation of the presented optimal motion/force hybrid‐tracking control strategy.
Digitaler Zwilling für die automatisierte Produktion von Betonfertigteilen
Authors: Kosse Simon , König Markus , Vogt Oliver , Wolf Mario , Gerhard Detlef
Published: May 2022

Das Bauen mit Betonfertigteilen birgt viele Vorteile wie Kosten‐ und Planungssicherheit, Präzision sowie Effizienz. In den meisten Fällen ist die Herstellung von Betonfertigteilen nicht vollständig automatisiert. Es existieren viele manuelle Arbeitsschritte, die eine weitere Steigerung der Produktivität hemmen. Grundlage für die vollständige Automatisierung ist der Einsatz von Informations‐ und Kommunikationstechnik. Ein Digitaler Zwilling als integriertes Datenmodell ist dafür notwendig. Im vorliegenden Beitrag wird untersucht, wie durch Kombination aktueller Konzepte des Building Information Modeling (BIM) mit Methoden aus dem Kontext der Industrie 4.0, die eine weitestgehend selbstorganisierte und dezentrale Produktion ermöglichen, die Grundlage zur vollständigen Automatisierung und Vernetzung aller Produktionsschritte gegeben werden kann. Basierend auf der Verwaltungsschale, die der Umsetzung des Digitalen Zwillings in der Industrie 4.0 dient, wird durch die Entwicklung von Daten‐ und Interaktionsmodellen für die industrialisierte Produktion eine geeignete Beschreibung für Digitale Zwillinge von Betonfertigteilmodulen erarbeitet.
Entrepreneurial view: Fostering entrepreneurship and innovation in universities by a web‐based course
Authors: Ferrari De Carvalho Teixeira Maria Cecilia , Albina Da Silva Pereira Nathalya , Mazzuchetti Roselis Natalina , Lermen Fernando Henrique
Published: May 2022

Innovation and entrepreneurship are factors that can empower and boost a country. One approach to managing these factors is innovation ecosystems, which only work with innovative approaches such as Lean Startup and Design Thinking. Fostering an entrepreneurial university is essential for solving society's problems by developing innovative and sustainable solutions. In this context, this study aims to present a pilot event called “Entrepreneurial View” for the dissemination of entrepreneurship and innovation in Brazilian universities through a web‐based course. To this end, this empirical study employs structured interviews with 22 participants on the second day using Cronbach's α to assess consistency, in addition to descriptive statistics and content analysis. The main results are the development of two products, two services, and two applications aimed at solving problems for society and other stakeholders. The main contribution of this study is the use of methodologies for the development of innovative offers is highlighted and promotes entrepreneurial thinking at different levels of training through a web‐based course.
Prognostic factors of primary neuroendocrine breast cancer: A population‐based study
Authors: Ma Shu‐tao , Wang Ding‐yuan , Liu Yi‐bing , Tan Hui‐jing , Ge Yue‐yue , Chi Yihebali , Zhang Bai‐lin
Published: May 2022

Background

Primary neuroendocrine breast carcinomas (NEBCs) are an extremely rare and underrecognized subtype of mammalian carcinoma. The prognostic factors for NEBCs remain controversial.

Methods

In this multicenter retrospective study, the prognostic factors for patients with primary NEBCs who underwent surgery and had a pathologically confirmed diagnosis of neuroendocrine carcinoma in China and the United States were examined. The endpoints were disease‐free survival (DFS) and overall survival (OS).

Results

A total of 51 Chinese patients and 98 US patients were included. In the Chinese cohort, tumor grade and Ki‐67 levels were prognostic factors for DFS in univariate analysis (hazard ratio [HR] = 5.11 [1.67–15.60], p = 0.004; HR = 57.70 [6.36–523.40], p < 0.001, respectively) and multivariate analysis (HR = 100.52 [1.33–7570.21], p = 0.037; HR = 31.47 [1.05–945.82], p = 0.047, respectively). In the US cohort, age was an important prognostic factor for OS in univariate analysis (HR = 1.09 [1.04–1.15], p = 0.001). The random effects model for the combined cohorts revealed age and positive expression of estrogen receptor (ER) as potential prognostic factors for OS (HR = 1.08 [1.01–1.14], p = 0.015; HR = 0.10 [0.02–0.44], p = 0.003, respectively).

Conclusions

Tumor grade and Ki‐67 levels are important prognostic factors for DFS of patients with primary NEBCs. Age and ER status are important prognostic factors for OS of patients with primary NEBCs.
Association between miR‐146a rs2910164, miR‐196a2 rs11614913, and miR‐499 rs3746444 polymorphisms and the risk of esophageal carcinoma: A case–control study
Authors: Liu Chao , Gao Wenhui , Shi Yijun , Lv Lu , Tang Weifeng
Published: May 2022

MicroRNAs (miRNAs) are a group of small, non‐coding, and endogenous RNAs that regulate gene expression and over 50% of them are located at cancer‐related genomic regions or fragile sites. According to previous studies there is significant association of miRNA single nucleotide polymorphisms (SNPs) with tumorigenesis (e.g., esophageal cancer, hepatocellular cancer, gastric cancer, bladder cancer, breast cancer, lung cancer, and colon cancer), however, the conclusions have been inconsistent. To investigate the relationship between miR‐146a rs2910164 C > G, miR‐196a2 rs11614913 T > C, and miR‐499 rs3746444 A > G polymorphisms and the susceptibility to esophageal squamous cell cancer (ESCC) in the Chinese Han nationality, we recruited 829 cases and 1522 controls in our study. In this case–control study, our results suggest that the rs3746444 GG genotype increased ESCC risk [homozygote model: adjusted odds ratio (OR), 2.26; 95% CI, 1.33–3.83; p = 0.003, recessive model: adjusted OR, 2.34; 95% CI, 1.38–3.96; p = 0.002], which remained consistent after Bonferroni correction. There was no association of rs11614913 and rs2910164 polymorphisms with ESCC. After adjusting by age, sex, smoking, and drinking status and body mass index (BMI), the multiple logistic analysis suggested that rs11614913 T → C variation reduced ESCC susceptibility in females and in the ≥63 years old subgroups, while rs2910164 C → G variation increased ESCC risk in both two BMI subgroups.
KBTBD7 promotes non‐small cell lung carcinoma progression by enhancing ubiquitin‐dependent degradation of PTEN
Authors: Zou Zifang , Zhang Bo , Li Zhihan , Lei Lei , Sun Guanghao , Jiang Xizi , Guan Jingqian , Zhang Yao , Xu Shun , Li Qingchang
Published: May 2022

The Kelch repeat and BTB domain containing 7 (KBTBD7) was first cloned in 2010. Its function as a transcriptional activator and a substrate adaptor during the ubiquitination process was soon found. KBTBD7 was shown to be involved in excessive inflammation after myocardial infarction, brain development, and neurofibromin stability. However, studies on the role of KBTBD7 in solid tumors, especially lung cancer, are still lacking. Therefore, in this study, we investigate the role of KBTBD7 in non‐small cell lung cancer (NSCLC). Immunohistochemical staining of 102 paired NSCLC and peritumoral normal specimens indicated that KBTBD7 was highly expressed in NSCLC tissues and positively correlated with the histological type, P‐TNM stage, lymph node metastasis, and tumor size. KBTBD7 was also well‐expressed in NSCLC cell lines, and downregulation of KBTBD7 resulted in inhibition of NSCLC cell proliferation and invasion. Further investigation showed that KBTBD7 enhanced ubiquitin‐dependent degradation of PTEN, thus activating EGFR/PI3K/AKT signaling and promoting NSCLC cell proliferation and invasion by regulating CCNE1, CDK4, P27, ZEB‐1, Claudin‐1, ROCK1, MMP‐9, and E‐cadherin protein levels. Our results indicate that KBTBD7 may be a potential therapeutic target for the treatment of NSCLC.
Individual identification of cashmere goats via method of fusion of multiple optimization
Authors: Shang Cheng , Zhao Hongke , Wang MeiLi , Wang XiaoLong , Jiang Yu , Gao Qiang
Published: May 2022

Facial recognition technology and related research have matured over time, but research in the field of individual animal recognition is still very limited. Therefore, this article focuses on the identification of cashmere goats with similar characteristics. First, the single shot multibox detector network was used to process the dataset. Next, transfer learning was applied to learn the characteristics of the goats, as well as the loss function is composed of Triplet Loss and Label Smoothing CrossEntropy Loss function. The result of Label Smoothing CrossEntropy Loss function is fused by multiple different branches, which is convenient for classification. We added a small number of images of 24 different breeds of sheep to each cashmere goat dataset with different ID to promote the distance between training individuals, and then used the trained model to find the number of goats with the lowest recognition accuracy. The Cycle‐Consistent Adversarial Network (Cycle‐GAN) learned the goat dataset with a high error rate in individual identification. Unlike previous studies using the Cycle‐GAN, we took the novel approach of using this network to learn and combine the features seen in photos of cashmere goats. Since the learned features were all observed in the same goats, this method achieved better results in learning the features of the goats. Finally, we found that recognition can be performed on this data with an accuracy of 93.75%. These results suggest that identification based on deep learning has a high accuracy rate, as well as great value in identifying individual cashmere goats.
Visible Light‐Mediated Manipulation of 1,n‐Enynes in Organic Synthesis
Authors: Patel Roshan I. , Singh Jitender , Sharma Anuj
Published: May 2022

The 1,n‐enynes are potent scaffolds in organic synthesis, providing a state‐of‐the‐art approach for synthesizing various acyclic and carbo‐ and heterocyclic compounds. Radical cascade cyclization and C−H functionalization of 1,n‐enynes have gained immense attention in the synthetic community. Significant advancement in this field has been developed over the years, employing harsh and expensive metal catalysts usually associated with intense product purification and unwanted side‐products. In this context, the advent of visible light photocatalysis as a mild and efficient approach in the area of 1,n‐enynes is a welcome step. Herein, we provide an exclusive overview of the recent developments in visible light‐assisted manipulation of 1,n‐enynes. We have classified the review into 1,3‐, 1,4‐, 1,5‐, 1,6‐, 1,7‐, and 1,8‐enynes, as well as dienyne, and enediyne‐based reactions.
Optimization of Culture Conditions of Immobilized Cells for Enzyme Excretion and Cell Lysis
Authors: Man Rohaida Che , Illias Rosli Md , Ramli Aizi Nor Mazila , Mudalip Siti Kholijah Abdul
Published: May 2022

Recombinant enzyme excretion is essential due to stable and active protein production. However, enzyme excretion, especially in the Escherichia coli system, may increase the occurrence of cell lysis. Thus, cell immobilization was used, and optimization of culture conditions was conducted to increase enzyme excretion and limit cell lysis. The culture conditions were optimized using a response surface methodology. CGTase excretion and cell lysis were analyzed by CGTase and β‐galactosidase assays, respectively. High CGTase excretion with low cell lysis was achieved after the optimization process. The results suggest that optimization of the cell immobilization system increased CGTase excretion with low cell lysis and made it more valuable for industrial applications.
Modeling of Volatile Composition during Heating and Isothermal Stages of the Torrefaction Process
Authors: Saleh Suriyati , Abdul Samad Noor Asma Fazli
Published: May 2022

The two‐step mechanism reaction model is widely used to represent solid degradation during the torrefaction process at fixed temperature. However, solid degradation during the heating period was neglected and the lack of the model for predicting volatile composition. Thus, the original model was extended to cover heating and isothermal stages during the torrefaction process based on thermogravimetric analysis using empty fruit bunch as case study. Torrefaction experiments were conducted at different temperature ranges for various heating rates. Based on the results, a good agreement between experimental and extended model was obtained with an absolute error of < 1 % indicating the high reliability of model prediction in estimating volatile composition.
Bi3+ Induced Crystal Growth of a Symbiotic Heterojunction Enables Long‐Lifespan Zn‐Ion Batteries
Authors: Gou Lei , Wang Wenyan , Wang Wenqi , Zhao Shaopan , Han Xiao , Fan Xiaoyong , Li Donglin
Published: May 2022

The MnO2/Mn2O3 symbiotic heterojunction is considered to be a promising cathode material for aqueous zinc‐ion batteries (ZIBs) owing to the built‐in electric field generated from the heterojunction interface that can accelerate ion transporting. However, the structure collapse caused by the Mn3+ dissolution, leading to a sharp capacity decline, is still one of the major issues. In this work, a Bi‐doped MnO2/Mn2O3 symbiotic heterojunction with a uniform nanorod structure was formed due to the Bi‐induced crystal growth mechanism. In addition, Bi3+ doped into the lattice effectively inhibited the dissolution of Mn3+ and greatly enhanced charge transfer and reaction kinetics. Therefore, an impressive long‐term cycling performance over 6000 cycles at a current density of 2 A g−1 was obtained. Such a Bi3+ induced symbiotic heterojunction crystal growth strategy may open new opportunities toward high‐performance aqueous ZIBs.
Nanosheets of Ni‐SAPO‐34 Molecular Sieve for Selective Oxidation of Cyclohexanone to Adipic Acid
Authors: She Minyi , Gu Rongtian , Meng Deming , Yang Hua , Wen Yujie , Qian Xiaofeng , Guo Xiangke , Ding Weiping
Published: May 2022

Nanosheets of nickel doped SAPO‐34 molecular sieves in thickness of ∼10 nm (denoted as NS−Ni‐SAPO‐34) has been successfully prepared through a morphology‐reserved method of synthesis. A special aluminum phosphate in two‐dimensional layered structure is used as precursor and converts to crystallized SAPO‐34 molecular sieve, in nanosheet morphology reserved from the aluminum phosphate precursor, under hydrothermal conditions with tetraethyl orthosilicate and templates of mixed amines added. It is found that adequate amount of nickel, ∼5 wt %, added to the synthetic system is a key factor for the morphology‐reserved synthesis. By characterization, the nickel is proved to be doped in the framework of the molecular sieve, which more likely helps to balance the high surface energy of nanosheet products. The NS−Ni‐SAPO‐34 shows excellent catalytic performance for oxidation of cyclohexanone to adipic acid by gaseous oxygen.
Azobenzene‐Substituted Triptycenes: Understanding the Exciton Coupling of Molecular Switches in Close Proximity
Authors: Kunz Anne , Oberhof Nils , Scherz Frederik , Martins Leon , Dreuw Andreas , Wegner Hermann A.
Published: May 2022

Herein, we report a series of azobenzene‐substituted triptycenes. In their design, these switching units were placed in close proximity, but electronically separated by a sp3 center. The azobenzene switches were prepared by Baeyer–Mills coupling as key step. The isomerization behavior was investigated by 1H NMR spectroscopy, UV/Vis spectroscopy, and HPLC. It was shown that all azobenzene moieties are efficiently switchable. Despite the geometric decoupling of the chromophores, computational studies revealed excitonic coupling effects between the individual azobenzene units depending on the connectivity pattern due to the different transition dipole moments of the π→π* excitations. Transition probabilities for those excitations are slightly altered, which is also revealed in their absorption spectra. These insights provide new design parameters for combining multiple photoswitches in one molecule, which have high potential as energy or information storage systems, or, among others, in molecular machines and supramolecular chemistry.
Luminous custard powder – fluorescence and photochemical degradation in riboflavin
Authors: Keune Vivian Lucas , Irmer Erhard
Published: May 2022

Wechselwirkungen von Energie und Materie erfahren im Chemieunterricht oft nur eine geringe Beachtung, meist aufgrund fehlender konzeptioneller und experimenteller Einbindung. Die drei hier vorgestellten Experimente zeigen am Beispiel des photochemischen Abbaus des Vitamins Riboflavin, wie Fluoreszenzerscheinungen als Nachweis für Edukte und Produkte in chemischen Reaktionen dienen können. Riboflavin wird aus Puddingpulver extrahiert und anhand seiner gelben Fluoreszenz sowie der Bildung eines nicht‐fluoreszierenden, roten Komplexes bei Zugabe von Silber‐Ionen identifiziert. Durch Bestrahlung einer Riboflavin‐Lösung mit UV‐Licht bildet sich das Photoprodukt Lumichrom. Mithilfe einer dünnschichtchromatographischen Untersuchung werden Riboflavin und Lumichrom anhand ihrer Fluoreszenzfarben voneinander unterschieden. Anschließend wird der Einfluss von Temperatur, Lösungsmittel, Bestrahlungsdauer und Farbe des Bestrahlungslichts auf die Geschwindigkeit des photochemischen Abbaus untersucht.
Allergic sensitization to lipocalins reflects asthma morbidity in dog dander sensitized children
Authors: Käck Ulrika , van Hage Marianne , Grönlund Hans , Lilja Gunnar , Asarnoj Anna , Konradsen Jon R.
Published: May 2022

Background

Sensitization to dog is an important risk factor for asthma in children, but the clinical relevance of IgE to available dog‐ and furry animal allergen molecules is uncertain.

Methods

Spirometry, methacholine challenge, fraction of exhaled nitric oxide, nasal challenge with dog extract and questionnaires were performed in 59 dog‐sensitized children (age 10–18 years). Serum IgE to dog‐, cat‐, horse extracts and the allergen molecules Can f 1–6, Fel d 1, Fel d 2, Fel d 4 and Equ c 1 were evaluated.

Results

Median numbers of positive IgE results to furry animal allergen molecules among children without asthma was 3, with asthma 5.5 and with troublesome asthma 9 (asthma vs. no asthma; p = 0.039; troublesome asthma vs. no asthma; p = 0.009). The odds ratio for asthma if sensitized to any lipocalin was 7.2 (95% confidence Interval: 1.44–35.9). Children with troublesome asthma had higher IgE levels to the lipocalins Can f 2, Can f 4 and Can f 6 compared to the rest of the study population (44 vs. 4.1 kUA/L, p = 0.015; 5.8 vs. 0.9 kUA/L, p = 0.018 and 1.3 vs. 0.7 kUA/L, p = 0.03 respectively). Furthermore, a positive nasal challenge was more common among children with troublesome asthma (83% vs. 36%, p = 0.036).

Conclusions

Polysensitization to furry animal allergens and lipocalins is associated with asthma in dog‐sensitized children. Children with troublesome asthma have higher IgE levels to several dog lipocalins than other dog sensitized children.

Key message

Polysensitization to furry animal allergens and high IgE levels to the dog lipocalins Can f 2, Can f 4 and Can f 6 is associated with asthma severity in dog dander sensitized children. Molecular allergy diagnostics may thus help the clinicians to evaluate the impact of allergic sensitization on asthma morbidity.
Anticancer Agents Derived from Cyclic Thiosulfonates: Structure‐Reactivity and Structure‐Activity Relationships
Authors: Ghilardi Amanda F. , Yaaghubi Elham , Ferreira Renan B. , Law Mary E. , Yang Yinuo , Davis Bradley J. , Schilson Christopher M. , Ghiviriga Ion , Roitberg Adrian E. , Law Brian K. , Castellano Ronald K.
Published: May 2022

Reported are structure‐property‐function relationships associated with a class of cyclic thiosulfonate molecules—disulfide‐bond disrupting agents (DDAs)—with the ability to downregulate the Epidermal Growth Factor Receptor (HER) family in parallel and selectively induce apoptosis of EGFR+ or HER2+ breast cancer cells. Recent findings have revealed that the DDA mechanism of action involves covalent binding to the thiol(ate) from the active site cysteine residue of members of the protein disulfide isomerase (PDI) family. Reported is how structural modifications to the pharmacophore can alter the anticancer activity of cyclic thiosulfonates by tuning the dynamics of thiol‐thiosulfonate exchange reactions, and the studies reveal a correlation between the biological potency and thiol‐reactivity. Specificity of the cyclic thiosulfonate ring‐opening reaction by a nucleophilic attack can be modulated by substituent addition to a parent scaffold. Lead compound optimization efforts are also reported, and have resulted in a considerable decrease of the IC50/IC90 values toward HER‐family overexpressing breast cancer cells.
One Solution for All: Searching for Universal Aptamers for Constantly Mutating Spike Proteins of SARS‐CoV‐2
Authors: Li Jiuxing , Zhang Zijie , Amini Ryan , Li Yingfu
Published: May 2022

Aptamers that can recognize the spike (S) protein of SARS‐CoV‐2 with high affinity and specificity are useful molecules towards the development of diagnostics and therapeutics to fight COVID‐19. However, this S protein is constantly mutating, producing variants of concern (VoCs) that can significantly weaken the binding by aptamers initially engineered to recognize the S protein of the wildtype virus or a specific VoC. One strategy to overcome this problem is to develop universal aptamers that are insensitive to all or most of the naturally emerging mutations in the protein. We have recently demonstrated this concept by subjecting a pool of S protein‐binding DNA aptamers for one‐round parallel‐SELEX experiments targeting 5 different S protein variants for binding‐based sequence enrichment, followed by bioinformatic analysis of the enriched pools. This effort has led to the identification of a universal aptamer that recognizes 8 different variants of the spike protein with equally excellent affinity.
MicroRNA profiling predicts positive nodal status in papillary thyroid carcinoma in the preoperative setting
Authors: Napoli Francesca , Rapa Ida , Mortara Umberto , Massa Federica , Izzo Stefania , Rigutto Angelica , Zambelli Vanessa , Bellevicine Claudio , Troncone Giancarlo , Papotti Mauro , Volante Marco
Published: May 2022

BACKGROUND

The molecular characterization of thyroid nodules in cytological samples has so far been focused on discriminating between benign and malignant forms in a purely diagnostic setting. The evidence on the impact of molecular biomarkers to determine the risk of aggressiveness in cytologically “neoplastic” lesions is limited to genomic alterations (such as BRAF and TERT mutations). The aim of our study was to assess the preoperative role of microRNAs (miRNAs) in predicting the nodal status of patients with papillary thyroid cancer.

METHODS

A pilot series of histological samples of papillary thyroid carcinoma with (6 cases) or without (6 cases) lymph node metastases, matched for other major clinical and pathological features, was analyzed for global miRNA expression in a screening phase. A set of miRNAs was then validated in a series of 63 consecutive cytological samples of papillary carcinomas: 48 pN‐negative and 15 pN‐positive at histology.

RESULTS

Unsupervised cluster analysis segregated surgical pN‐negative and pN‐positive samples, except for 1 case. The 45 differentially expressed miRNAs in pN‐positive versus pN‐negative cases were predicted to regulate a wide range of cellular pathways, enriched for Wnt, gonadotropin‐releasing hormone receptor, and cerulein/cholecystokinin receptor signaling. In agreement with their profiles in surgical samples, 4 miRNAs of the 10 selected for validation (miR‐154‐3p, miR‐299‐5p, miR‐376a‐3p, and miR‐302E) had a significant differential expression in cytological samples of papillary carcinoma with lymph node metastases and predicted the positive nodal status with a relatively good performance.

CONCLUSIONS

MiRNA profiling is a potential promising strategy to define papillary carcinoma aggressiveness in the preoperative setting. ;
Direct and indirect role of Fe doping in NiOOH monolayer for water oxidation catalysis**
Authors: Kumar Manish , Piccinin Simone , Srinivasan Varadharajan
Published: May 2022

Water oxidation activity of pristine NiOOH is greatly enhanced by doping it with Fe. However, the precise role of Fe is still being debated. Using a first‐principles DFT+U approach, we investigate the direct and indirect roles of Fe in enhancing the oxygen evolution reaction (OER) activity of NiOOH monolayers. Considering two Mars‐Van‐Krevelen mechanisms of OER based on the source of O−O bond formation, we show that a mechanism involving the coupling of lattice oxygen is generally more favorable than water nucleophilic attack on lattice oxygen. On doping with Fe, the overpotential of NiOOH is reduced by 0.33 V, in excellent agreement with experimental findings. Introducing Fe at active sites results in different potential determining steps (PDS) in the two mechanisms. The Ni sites in pristine and Fe‐doped NiOOH have the same PDS regardless of the mechanism. The Fe sites not only have the lowest overpotential but also decrease the overpotential for Ni sites.
Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms
Authors: Neves Rui P. P. , Cunha Ana V. , Fernandes Pedro A. , Ramos Maria J.
Published: May 2022

We employed QM/MM molecular dynamics (MD) simulations to characterize the rate‐limiting step of the glycosylation reaction of pancreatic α‐amylase with combined DFT/molecular dynamics methods (PBE/def2‐SVP : AMBER). Upon careful choice of four starting active site conformations based on thorough reactivity criteria, Gibbs energy profiles were calculated with umbrella sampling simulations within a statistical convergence of 1–2 kcal ⋅ mol−1. Nevertheless, Gibbs activation barriers and reaction energies still varied from 11.0 to 16.8 kcal ⋅ mol−1 and −6.3 to +3.8 kcal ⋅ mol−1 depending on the starting conformations, showing that despite significant state‐of‐the‐art QM/MM MD sampling (0.5 ns/profile) the result still depends on the starting structure. The results supported the one step dissociative mechanism of Asp197 glycosylation preceded by an acid‐base reaction by the Glu233, which are qualitatively similar to those from multi‐PES QM/MM studies, and thus support the use of the latter to determine enzyme reaction mechanisms.
Effect of Nitrogen Atoms on Structures and Electron Transport of N‐heteropentacene Devices
Authors: Wang Yifei , Ma Yingjie , Ni Erli , Jiang Yanyan , Li Hui
Published: May 2022

Pentacene polycyclic aromatic hydrocarbons are the most promising organic semiconductor materials among aromatic compounds due to their potential optoelectronic properties. Introducing nitrogen atoms into the main chain of pentacene is supposed to tune the electronic structure and develop new high‐performance organic molecular devices. Herein, we have investigated the electron transport properties of N‐heteropentacenes consisting of different numbers, positions, and valence states of N atoms using density functional theory (DFT) and nonequilibrium Green's function (NEGF) method. The results show that the transport properties of N‐heteropentacenes are strongly dependent on whether the C−N is a single or double bond. For devices with C−N double bonds, the change of current with voltage is consistent, and its electron transport properties are independent of the number and position of N atoms. In comparison, C−N single‐bond devices exhibit an early negative differential resistance (NDR) and significant rectification. Moreover, the threshold voltages exist within certain bias voltages for different numbers of N atoms and might even show a second NDR. These studies would be useful to design performance‐enhancing molecular devices by manipulating the molecular structure of N‐heteropentacenes.
Promising Electrocatalytic Water and Methanol Oxidation Reaction Activity by Nickel Doped Hematite/Surface Oxidized Carbon Nanotubes Composite Structures
Authors: Malik Bibhudatta , Majumder Sumit , Lorenzi Roberto , Perelshtein Ilana , Ejgenberg Michal , Paleari Alberto , Nessim Gilbert Daniel
Published: May 2022

Tailoring the precise construction of non‐precious metals and carbon‐based heterogeneous catalysts for electrochemical oxygen evolution reaction (OER) and methanol oxidation reaction (MOR) is crucial for energy conversion applications. Herein, this work reports the composite of Ni doped Fe2O3 (Ni−Fe2O3) with mildly oxidized multi‐walled CNT (O−CNT) as an outstanding Mott‐Schottky catalyst for OER and MOR. O−CNT acts as a co‐catalyst which effectively regulates the charge transfer in Ni−Fe2O3 and thus enhances the electrocatalytic performance. Ni−Fe2O3/O−CNT exhibits a low onset potential of 260 mV and overpotential 310 mV @ 10 mA cm−2 for oxygen evolution. Being a Mott‐Schottky catalyst, it achieves the higher flat band potential of −1.15 V with the carrier density of 0.173×1024 cm−3. Further, in presence of 1 M CH3OH, it delivers the MOR current density of 10 mA cm−2 at 1.46 V vs. RHE. The excellent electrocatalytic OER and MOR activity of Ni−Fe2O3/O−CNT could be attributed to the synergistic interaction between Ni‐doped Fe2O3 and O−CNT.
Photodynamic Antitumor and Antimicrobial Activities of Free‐Base Tetra(4‐methylthiolphenyl)chlorin and Its Tin(IV) Complex
Authors: Dingiswayo Somila , Burgess Kristen , Babu Balaji , Mack John , Nyokong Tebello
Published: May 2022

Meso‐tetra(4‐methylthiolphenyl)chlorin (3) and its Sn(IV) complex (3‐Sn) have been synthesized and characterized. The heavy atom effects of the Sn(IV) ion and sulfur atoms result in relatively high singlet oxygen quantum yield values of 0.40 and 0.48. The photodynamic activities against MCF‐7 breast cancer cells were determined through irradiation with a Thorlabs 660 nm LED for 30 min (280 mW.cm−2). IC50 values of 7.8 and 3.9 μM were obtained, respectively. 3‐Sn was found to have significant photodynamic antimicrobial activity against both gram‐(+) S. aureus and gram‐(−) E. coli bacteria upon irradiation with a Thorlabs 660 nm LED for 75 min.
A qualitative meta‐analysis of the clients' experiences of emotion‐focused therapy
Authors: Marren Colm , Mikoška Petr , O'Brien Sorcha , Timulak Ladislav
Published: May 2022

Objective

Client experience of psychotherapy is an important resource for our understanding of psychotherapy and deserves relevant attention in psychotherapy research. Emotion‐focused therapy (EFT) is a relatively new adaptation of a humanistic therapy that has a tradition of giving a voice to the clients in therapy. Despite the number of qualitative studies looking at the experience of clients in EFT, there was no formal qualitative meta‐analysis conducted synthesizing the existing qualitative research on the clients' experience of EFT.

Method

A sample of 11 primary qualitative studies was selected through a systematic search of the literature. Primary studies were critically appraised, and data (findings) from them extracted and meta‐analysed.

Results

All 11 studies featured experiences of helpful aspects of therapy, with difficult but helpful aspects reported in seven studies and unhelpful aspects reported in six studies. Most studies reported chair and experiential work and intense emotional work in EFT as helpful, with fewer reports and fewer clients finding them difficult but helpful or unhelpful. The multidimensional nature of the therapist and therapeutic relationship in EFT included emotional connection and support, validation and understanding and was commonly experienced as helpful to clients. Other client experiences reported included practical aspects of EFT such as session length, in‐session outcomes such as clients' transformative experiences, and internal and external factors which were experienced by clients such as determination or reluctance to commit to therapy.

Conclusions

Most clients experience EFT as an intense, challenging, but productive psychotherapy, but it appears a minority of clients experience aspects of EFT as challenging.
DRLNPS: A deep reinforcement learning network path switching solution
Authors: van Hooren Dave , Yang Song , Shen Qi
Published: May 2022

This paper proposes a solution to the problem of switching between different network paths. We choose to switch between multiprotocol label switching (MPLS) and software‐defined wide area networking (SD‐WAN) connections specifically as they are the mainstream currently. The solution should maintain a service license agreement (SLA) while choosing SD‐WAN as long as possible to save cost. Therefore, a deep reinforcement learning solution is proposed that predicts when to switch based on bandwidth availability and quality of service (QoS) parameters like jitter and delay. Results show that double deep Q learning in combination with these parameters are suitable to make a sophisticated decision on link switching between MPLS and SD‐WAN.
Effects of white matter hyperintensities, neuropsychiatric symptoms, and cognition on activities of daily living: Differences between Alzheimer's disease and dementia with Lewy bodies
Authors: Mirza Saira Saeed , Saeed Usman , Ramirez Joel , Herrmann Nathan , Stuss Donald T. , Black Sandra E. , Masellis Mario
Published: May 2022

Introduction

Disability is common across Alzheimer's disease (AD) and dementia with Lewy bodies (DLB). White matter hyperintensities (WMHs) are prevalent in both diagnoses and associated with disability; both diagnoses show neuropsychiatric symptoms (NPS) and impaired cognition.

Methods

In AD and DLB, we examined if WMHs, NPS, and cognition associate with basic and/or instrumental activities of daily living (BADLs and/or IADLs) cross‐sectionally, and longitudinally over ≈1.4 years.

Results

Across both diagnoses, NPS were not only associated with greater disability in performing both BADLs and IADLs, but were also associated with a decline in the ability to perform BADLs in the AD group. In the DLB group only, higher WMH volume was associated with greater disability in performing both BADLs and IADLs, and was associated with a decline in the ability to perform BADL over time.

Discussion

Management of NPS and WMHs, particularly in DLB, might help maintain functionality in dementia patients for longer.
Macroclimatic and maternal effects on the evolution of reproductive traits in lizards
Authors: Padilla Perez Dylan J. , Angilletta Michael J.
Published: May 2022

Much of life‐history theory rests on fundamental assumptions about constraints on the acquisition and allocation of energy to growth and reproduction. In general, the allocation of energy to reproduction depends on maternal size, which in turn depends on environmental factors experienced throughout the life of the mother. Here, we used phylogenetic path analyses to evaluate competing hypotheses about the environmental and maternal drivers of reproductive traits in lizards. In doing so, we discovered that precipitation, rather than temperature, has shaped the evolution of the life history. Specifically, environments with greater rainfall have enabled the evolution of larger maternal size. In turn, these larger mothers produce larger clutches of larger offspring. However, annual precipitation has a negative direct effect on offspring size, despite the positive indirect effect mediated by maternal size. Possibly, the evolution of offspring size was driven by the need to conserve water in dry environments, because small organisms are particularly sensitive to water loss. Since we found that body size variation among lizards is related to a combination of climatic factors, mainly precipitation and perhaps primary production, our study challenges previous generalizations (e.g., temperature‐size rule and Bergmann's rule) and suggests alternative mechanisms underlying the evolution of body size.
Dibenzothiazepine Based MCR Chemistry
Authors: Lei Xiaofang , Angeli Giasemi , Dömling Alexander , Neochoritis Constantinos G.
Published: May 2022

Privileged scaffolds which can unveil unknown territories of the chemical space are constantly prominent. As such, 1,5‐dibenzothiazepines not only offer structural diversification but also a very unique binding mode due to their “butterfly” conformation. We provide MCR‐based annulations of this scaffold towards three different tetracycles in a straightforward, two‐step procedure. We synthesize a library of 30 tetracyclic 1,5‐tetrazolo‐, fused imidazo‐ and lactam‐1,5‐dibenzothiazepines with scalable and one‐pot procedures. In addition, we obtained single crystal structures of certain derivatives, demonstrating the conformational behavior of the scaffold.
Robust Synthesis of Tetra‐Boronate Esters Analogues and the Corresponding Boronic Acids Derivatives
Authors: Qiu Shuo‐Bei , Xiao Jing‐Han , Chen Pin‐Rui , Ai Guan‐Lin , Pan Kuan‐Lin , Chen Jen‐Kun , Chen Yi‐Wei , Pan Po‐Shen
Published: May 2022

Organoboron compounds are widely used in catalytic reactions, medicinal chemistry, chemosensors, and polymer applications, because of their low toxicity, high stability, Lewis acidity, chemical versatility, and ability to form covalent bonds with their nucleophilic targets, In this report, we demonstrate how to efficiently assemble tetra boronate‐containing compounds at the gram‐scale via a one‐pot modified microwave‐assisted Ugi‐4CR reaction. These boronate esters can then be transformed into the corresponding boronic acids under a reliable deprotection method, also reported herein.
Is there J‐curve effect in the US Service Trade? Evidence from asymmetric analysis
Authors: Bahmani‐Oskooee Mohsen , Karamelikli Huseyin
Published: May 2022

The J‐curve hypothesis asserts that a depreciation could worsen the trade balance in the short run but improves it in the long run. In testing the hypothesis, almost all previous studies used trade data in goods only. We add to this literature by considering the US trade in insurance and financial services with each of its nine trading partners. Using quarterly data over the period 2003Q1–2019Q4, when we estimated a linear model, we found limited support for the J‐curve effect. However, when we estimated a nonlinear model to assess the possibility of asymmetric response of a service trade to exchange rate changes, we found much more support for the hypothesis. Precisely, we found support for the asymmetric J‐curve in the US insurance (finance) trade with Australia, Belgium, France, and Korea (Australia, Germany) and asymmetric inverse J‐curve in the US insurance (finance) trade with Germany, Italy, and United Kingdom (Belgium, Canada).
Effects of St. Augustinegrass genotype and irrigation frequency on turfgrass quality in a subtropical environment
Authors: Pirtle Todd , Chavarria Manuel R. , Erickson John E. , Kenworthy Kevin E. , Cox Katherine , Unruh J. Bryan , Kruse Jason , Cardenas Bernardo , Dukes Michael , Milla‐Lewis Susana , Chandra Ambika , Wherley Benjamin , Moss Justin
Published: May 2022

Growing urban populations have placed greater demands on municipal water supplies, especially during dry periods. Efforts are underway to develop turfgrasses with better performance using less irrigation. The objective of this research was to assess the effects of irrigation management and St. Augustinegrass [Stenotaphrum secundatum (Walter) Kuntze] genotype on turf quality (TQ). The field study conducted in Citra, FL, was a split‐plot design with the main plot (irrigation) arranged in blocks. Calendar‐based irrigation treatments were soil sensor‐based, 8X, 4X, 2X, and 1X per month (MO) and none. St. Augustinegrass genotypes included three commercial cultivars and eight experimental entries. Turfgrass quality varied with time, genotype, and irrigation. Sensor‐based and 8XMO irrigation produced the highest TQ values, ranging from 5 to 7 for all cultivars, but sensor‐based irrigation used less water overall. Turf quality declined with 2XMO and more restrictive irrigation frequencies, with TQ values ranging from 2 to 4. Several recently developed breeding lines performed better across all the irrigation treatments than current commercial cultivars. To satisfy both municipal watering restrictions and turfgrass health requirements, sensor‐based irrigation coupled with the use of improved breeding lines and cultivars such as DALSA 1618 or FSA1602 (CitraBlue®) offer the potential to maintain quality turfgrass while substantially reducing residential irrigation use.
Effect of Rythmol (propafenone HCl) administration during pregnancy in Wistar rats
Authors: Abd‐Allah Entsar R. , Amin Salma , El Ghareeb Abd El Wahab , Badawy Mohamed A.
Published: May 2022

Propafenone is a well‐known Class 1C antiarrhythmic agent that has sodium channel blocking properties as well as the ability to block 13 other channels and a modest calcium antagonistic effect. Propafenone has a profound electrophysiologic effect on auxiliary atrioventricular circuits and in patients with atrioventricular nodal reentry tachycardia can obstruct conduction in the fast conducting pathway. Furthermore, propafenone is less likely than other Class 1C drugs to cause proarrhythmia. However, although this medicine can pass through the placenta, the effects during pregnancy remain unknown. Here, we investigated the potential teratogenic and genotoxic effects of Rythmol during rat development. Pregnant Wistar rats received 46.25 mg/kg body weight of propafenone daily by gavage from Gestation Day (GD) 5 to GD 19. At GD 20, the dams were dissected, and their fetuses were assessed via morphologic, skeletal, and histologic investigation. In addition, a comet assay was used to measure DNA impairment of fetal skull osteocytes and hepatic cells. The study showed that propafenone treatment of pregnant rats led to a marked decrease in gravid uterine weight, number of implants/litter, number of viable fetuses, and bodyweight of fetuses but a clear increase in placental weight and placental index in the treated group. Frequent morphologic abnormalities and severe ossification deficiency in the cranium bones were observed in the treatment group. Various histopathological changes were observed in the liver, kidney, and brain tissues of maternally treated fetuses. Similarly, propafenone induced DNA damage to examined samples. Thus, our study indicates that propafenone may be embryotoxic in humans.
Design and implementation of a low‐cost portable reader for thermometric lateral flow immunoassay
Authors: Hui Yuen Yung , Tang Yi‐Xiu , Azuma Terumitsu , Lin Hsin‐Hung , Liao Fang‐Zhen , Chen Qing‐Ying , Kuo Jen‐Hwa , Wang Yuh‐Lin , Chang Huan‐Cheng
Published: May 2022

Lateral flow immunoassay (LFIA) is a widely used tool for point‐of‐care testing (POCT). Although the method is fast and inexpensive, it provides only qualitative or semi‐quantitative information, which limits the scope of its applications in POCT. Here, we report the development of a low‐cost, portable LFIA reader based on photothermal detection of reporters (such as colloidal gold and colored latex beads) captured on LFIA strips using a low‐power green laser as the heating source and a single‐element infrared sensor as the detector. For 40‐nm colloidal gold, we measured a detection limit of 3 × 105 particles/mm2 by laser irradiation of the reporters at 532 nm with an intensity of 20 W/cm2. The photothermal detection enables a 10‐fold enhancement in sensitivity over color visualization with the naked eye. More importantly, with the use of the control line intensities as internal calibrants, the results so obtained are quantitative and useful to support critical decision‐making in POCT, as demonstrated by gold‐based assays for human chorionic gonadotropin and human immunodeficiency virus as well as latex‐based assays for nucleocapsid protein of the SARS‐CoV‐2 virus.