bluuebunny/crossref_metadata_2025 huggingface dataset:
Spin-Forbidden Addition of Molecular Oxygen to Stable Enol Intermediates—Decarboxylation of 2-Methyl-1-tetralone-2-carboxylic Acid
Authors: Ortega Pablo , Gil-Guerrero Sara , González-Sánchez Lola , Sanz-Sanz Cristina , Jambrina Pablo G.
Published: April 2023

The deprotonation of an organic substrate is a common preactivation step for the enzymatic cofactorless addition of O2 to this substrate, as it promotes charge-transfer between the two partners, inducing intersystem crossing between the triplet and singlet states involved in the process. Nevertheless, the spin-forbidden addition of O2 to uncharged ligands has also been observed in the laboratory, and the detailed mechanism of how the system circumvents the spin-forbiddenness of the reaction is still unknown. One of these examples is the cofactorless peroxidation of 2-methyl-3,4-dihydro-1-naphthol, which will be studied computationally using single and multi-reference electronic structure calculations. Our results show that the preferred mechanism is that in which O2 picks a proton from the substrate in the triplet state, and subsequently hops to the singlet state in which the product is stable. For this reaction, the formation of the radical pair is associated with a higher barrier than that associated with the intersystem crossing, even though the absence of the negative charge leads to relatively small values of the spin-orbit coupling.
Transcriptomic Complexity of Culm Growth and Development in Different Types of Moso Bamboo
Authors: Li Long , Zhou Binao , Liu Dong , Wu Hongyu , Shi Qianqian , Lin Shuyan , Yao Wenjing
Published: April 2023

Moso bamboo is capable of both sexual and asexual reproduction during natural growth, resulting in four distinct types of culms: the bamboo shoot-culm, the seedling stem, the leptomorph rhizome, and a long-ignored culm—the outward-rhizome. Sometimes, when the outward rhizomes break through the soil, they continue to grow longitudinally and develop into a new individual. However, the roles of alternative transcription start sites (aTSS) or termination sites (aTTS) as well as alternative splicing (AS) have not been comprehensively studied for their development. To re-annotate the moso bamboo genome and identify genome-wide aTSS, aTTS, and AS in growing culms, we utilized single-molecule long-read sequencing technology. In total, 169,433 non-redundant isoforms and 14,840 new gene loci were identified. Among 1311 lncRNAs, most of which showed a positive correlation with their target mRNAs, one-third of these IncRNAs were preferentially expressed in winter bamboo shoots. In addition, the predominant AS type observed in moso bamboo was intron retention, while aTSS and aTTS events occurred more frequently than AS. Notably, most genes with AS events were also accompanied by aTSS and aTTS events. Outward rhizome growth in moso bamboo was associated with a significant increase in intron retention, possibly due to changes in the growth environment. As different types of moso bamboo culms grow and develop, a significant number of isoforms undergo changes in their conserved domains due to the regulation of aTSS, aTTS, and AS. As a result, these isoforms may play different roles than their original functions. These isoforms then performed different functions from their original roles, contributing to the transcriptomic complexity of moso bamboo. Overall, this study provided a comprehensive overview of the transcriptomic changes underlying different types of moso bamboo culm growth and development.
Genetic Analysis of Patients with Congenital Hypogonadotropic Hypogonadism: A Case Series
Authors: Cannarella Rossella , Gusmano Carmelo , Condorelli Rosita A. , Bernini Andrea , Kaftalli Jurgen , Maltese Paolo Enrico , Paolacci Stefano , Dautaj Astrit , Marceddu Giuseppe , Bertelli Matteo , La Vignera Sandro , Calogero Aldo E.
Published: April 2023

Congenital hypogonadotropic hypogonadism (cHH)/Kallmann syndrome (KS) is a rare genetic disorder with variable penetrance and a complex inheritance pattern. Consequently, it does not always follow Mendelian laws. More recently, digenic and oligogenic transmission has been recognized in 1.5–15% of cases. We report the results of a clinical and genetic investigation of five unrelated patients with cHH/KS analyzed using a customized gene panel. Patients were diagnosed according to the clinical, hormonal, and radiological criteria of the European Consensus Statement. DNA was analyzed using next-generation sequencing with a customized panel that included 31 genes. When available, first-degree relatives of the probands were also analyzed to assess genotype–phenotype segregation. The consequences of the identified variants on gene function were evaluated by analyzing the conservation of amino acids across species and by using molecular modeling. We found one new pathogenic variant of the CHD7 gene (c.576T>A, p.Tyr1928) and three new variants of unknown significance (VUSs) in IL17RD (c.960G>A, p.Met320Ile), FGF17 (c.208G>A, p.Gly70Arg), and DUSP6 (c.434T>G, p.Leu145Arg). All were present in the heterozygous state. Previously reported heterozygous variants were also found in the PROK2 (c.163del, p.Ile55*), CHD7 (c.c.2750C>T, p.Thr917Met and c.7891C>T, p.Arg2631*), FLRT3 (c.1106C>T, p.Ala369Val), and CCDC103 (c.461A>C, p.His154Pro) genes. Molecular modeling, molecular dynamics, and conservation analyses were performed on three out of the nine variants identified in our patients, namely, FGF17 (p.Gly70Arg), DUSP6 (p.Leu145Arg), and CHD7 p.(Thr917Met). Except for DUSP6, where the L145R variant was shown to disrupt the interaction between β6 and β3, needed for extracellular signal-regulated kinase 2 (ERK2) binding and recognition, no significant changes were identified between the wild-types and mutants of the other proteins. We found a new pathogenic variant of the CHD7 gene. The molecular modeling results suggest that the VUS of the DUSP6 (c.434T>G, p.Leu145Arg) gene may play a role in the pathogenesis of cHH. However, our analysis indicates that it is unlikely that the VUSs for the IL17RD (c.960G>A, p.Met320Ile) and FGF17 (c.208G>A, p.Gly70Arg) genes are involved in the pathogenesis of cHH. Functional studies are needed to confirm this hypothesis.
Otilonium Bromide Prevents Cholinergic Changes in the Distal Colon Induced by Chronic Water Avoidance Stress, a Rat Model of Irritable Bowel Syndrome
Authors: Traini Chiara , Idrizaj Eglantina , Biagioni Cristina , Baccari Maria Caterina , Vannucchi Maria Giuliana
Published: April 2023

Irritable Bowel syndrome (IBS) is a highly widespread gastrointestinal disorder whose symptomatology mainly affect the large intestine. Among the risk factors, psychosocial stress is the most acknowledged. The repeated water avoidance stress (rWAS) is considered an animal model of psychosocial stress that is capable of mimicking IBS. Otilonium bromide (OB), which is orally administered, concentrates in the large bowel and controls most of the IBS symptoms in humans. Several reports have shown that OB has multiple mechanisms of action and cellular targets. We investigated whether the application of rWAS to rats induced morphological and functional alterations of the cholinergic neurotransmission in the distal colon and whether OB prevented them. The results demonstrated that rWAS affects cholinergic neurotransmission by causing an increase in acid mucin secretion, in the amplitude of electrically evoked contractile responses, abolished by atropine, and in the number of myenteric neurons expressing choline acetyltransferase. OB counteracted these changes and also showed an intrinsic antimuscarinic effect on the post-synaptic muscular receptors. We assume that the rWAS consequences on the cholinergic system are linked to corticotrophin-releasing factor-1 (CRF1) receptor activation by the CRF hypothalamic hormone. OB, by interfering with the CFR/CRFr activation, interrupted the cascade events responsible for the changes affecting the rWAS rat colon.
Target Positioning and Tracking in WSNs Based on AFSA
Authors: Lee Shu-Hung , Cheng Chia-Hsin , Lin Chien-Chih , Huang Yung-Fa
Published: April 2023

In wireless sensor networks (WSNs), the target positioning and tracking are very important topics. There are many different methods used in target positioning and tracking, for example, angle of arrival (AOA), time of arrival (TOA), time difference of arrival (TDOA), and received signal strength (RSS). This paper uses an artificial fish swarm algorithm (AFSA) and the received signal strength indicator (RSSI) channel model for indoor target positioning and tracking. The performance of eight different method combinations of fixed or adaptive steps, the region segmentation method (RSM), Hybrid Adaptive Vision of Prey (HAVP) method, and a Dynamic AF Selection (DAFS) method proposed in this paper for target positioning and tracking is investigated when the number of artificial fish is 100, 72, 52, 24, and 12. The simulation results show that using the proposed HAVP total average positioning error is reduced by 96.1%, and the positioning time is shortened by 26.4% for the target position. Adopting HAVP, RSM, and DAFS in target tracking, the positioning time can be greatly shortened by 42.47% without degrading the tracking success rate.
Determining the Acceptance of Digital Cardiac Rehabilitation and Its Influencing Factors among Patients Affected by Cardiac Diseases
Authors: Bäuerle Alexander , Mallien Charlotta , Rassaf Tienush , Jahre Lisa , Rammos Christos , Skoda Eva-Maria , Teufel Martin , Lortz Julia
Published: April 2023

Background: Cardiac diseases are a major global health issue with an increasing prevalence of affected people. Rehabilitation following cardiac events is underutilized, despite its proven effectiveness. Digital interventions might present a useful addition to traditional cardiac rehabilitation. Aims: This study aims to assess the acceptance of mobile health (mHealth) cardiac rehabilitation and to investigate the underlying factors of acceptance in patients with ischemic heart disease and congestive heart failure. Methods: A cross-sectional study was conducted from November 2021 to September 2022 with N = 290 patients. Sociodemographic, medical, and eHealth-related data were assessed. The Unified Theory of Acceptance and Use of Technology (UTAUT) was applied. Group differences in acceptance were examined and a multiple hierarchical regression analysis was conducted. Results: The overall acceptance of mHealth cardiac rehabilitation was high (M = 4.05, SD = 0.93). Individuals with mental illness reported significantly higher acceptance (t(288) = 3.15, padj = 0.007, d = 0.43). Depressive symptoms (β = 0.34, p < 0.001); digital confidence (β = 0.19, p = 0.003); and the UTAUT predictors of performance expectancy (β = 0.34, p < 0.001), effort expectancy (β = 0.34, p < 0.001), and social influence (β = 0.26, p < 0.001) significantly predicted acceptance. The extended UTAUT model explained 69.5% of the variance in acceptance. Conclusions: As acceptance is associated with the actual use of mHealth, the high level of acceptance found in this study is a promising basis for the future implementation of innovative mHealth offers in cardiac rehabilitation.
Hyphopodium-Specific Signaling Is Required for Plant Infection by Verticillium dahliae
Authors: Liu Qingyan , Li Yingchao , Wu Huawei , Zhang Bosen , Liu Chuanhui , Gao Yi , Guo Huishan , Zhao Jianhua
Published: April 2023

For successful colonization, fungal pathogens have evolved specialized infection structures to overcome the barriers present in host plants. The morphology of infection structures and pathogenic mechanisms are diverse according to host specificity. Verticillium dahliae, a soil-borne phytopathogenic fungus, generates hyphopodium with a penetration peg on cotton roots while developing appressoria, that are typically associated with leaf infection on lettuce and fiber flax roots. In this study, we isolated the pathogenic fungus, V. dahliae (VdaSm), from Verticillium wilt eggplants and generated a GFP-labeled isolate to explore the colonization process of VdaSm on eggplants. We found that the formation of hyphopodium with penetration peg is crucial for the initial colonization of VdaSm on eggplant roots, indicating that the colonization processes on eggplant and cotton share a similar feature. Furthermore, we demonstrated that the VdNoxB/VdPls1-dependent Ca2+ elevation activating VdCrz1 signaling is a common genetic pathway to regulate infection-related development in V. dahliae. Our results indicated that VdNoxB/VdPls1-dependent pathway may be a desirable target to develop effective fungicides, to protect crops from V. dahliae infection by interrupting the formation of specialized infection structures.
Periphery and Integrated Planning: Coping with Rural and Touristic Challenges across Scales in the German Wadden Sea Region
Authors: Mehnen Nora , Mose Ingo , Schaal Peter , Sijtsma Frans , Muñoz-Rojas José , Fedoriak Mariia , Angelstam Per
Published: April 2023

Rural landscapes face multiple challenges, but they can be attractive for developing nature-based tourism. Encouraging place-based participatory governance in local communities represents a relevant transdisciplinary landscape approach. In this study, we map (1) rural and touristic challenges and (2) coping strategies in peripheral–rural municipalities, and we (3) discuss the need for integration of local and regional-level actions. Two island and two mainland municipalities with different demographic profiles and different degrees of touristic specialization in the German Wadden Sea Region were selected as case studies. Through meetings and interviews we mapped perceived challenges and analyzed policies and other coping strategies. We then discuss the need for integration at multiple scales. Island municipalities were more exposed to tourism development challenges than mainland municipalities. Securing public services and welfare, and the sustainable conservation of ecological green infrastructures were particularly challenging. Applying a participatory approach was a coping strategy at the local level. However, there is a need for activities at multiple scales. In coping with rural development challenges, local level participatory approaches and regional planning complement each other. Combination and integration of local and regional-level concepts should be encouraged to support collaborative learning through evaluation.
Economic Implications for Farmers in Adopting Climate Adaptation Measures in Italian Agriculture
Authors: De Leo Simonetta , Di Fonzo Antonella , Giuca Sabrina , Gaito Marco , Bonati Guido
Published: April 2023

The purpose of this paper is to provide an assessment of the economic convenience of adopting adaptation measures to climate change at farm level. Concerns raised about climate risks on agriculture indicate that adaptation of the agricultural sector to climate change is necessary to mitigate the negative consequences of climate change. Despite many opportunities to implement climate adaptation measures at farm level, there are several obstacles to their adoption. Farmers’ decision to implement adaptation measures lies in the difficulty of accessing knowledge about adaptation practices and in the lack of resources for upfront investments required by adaptation. The need to investigate economic convenience in terms of costs and benefits of adopting adaptation measures to prevent or reduce damage from adverse climatic events by farmers arises from this consideration. More importantly, climate protection and management of climate change are European environmental policy objectives. However, adaptation to climate change remains complex, and literature on the costs and benefit of agricultural adaptation is limited. Based on these considerations, this paper provides an analysis of the economic convenience of adopting adaptation measures in Italian farms. The economic convenience to implement adaptation measures is calculated on the reduction of the impact of climate damage. Our results show the economic convenience of adaptation measures. These findings help to improve the still too limited access to information on adaptation policies at farm level as well as the benefits that adaptation produces in economic and environmental terms, on human and ecosystem health. This study supports farmers’ decisions in adopting climate adaptation measures and provides information for policy makers to identify specific financial instruments for adaptation measures.
Antioxidant Therapy as an Effective Strategy against Noise-Induced Hearing Loss: From Experimental Models to Clinic
Authors: Pisani Anna , Paciello Fabiola , Montuoro Raffaele , Rolesi Rolando , Galli Jacopo , Fetoni Anna Rita
Published: April 2023

Cochlear redox unbalance is the main mechanism of damage involved in the pathogenesis of noise-induced-hearing loss. Indeed, the increased free radical production, in conjunction with a reduced efficacy of the endogenous antioxidant system, plays a key role in cochlear damage induced by noise exposure. For this reason, several studies focused on the possibility to use exogenous antioxidant to prevent or attenuate noise-induce injury. Thus, several antioxidant molecules, alone or in combination with other compounds, have been tested in both experimental and clinical settings. In our findings, we tested the protective effects of several antioxidant enzymes, spanning from organic compounds to natural compounds, such as nutraceuticals of polyphenols. In this review, we summarize and discuss the strengths and weaknesses of antioxidant supplementation focusing on polyphenols, Q-Ter, the soluble form of CoQ10, Vitamin E and N-acetil-cysteine, which showed great otoprotective effects in different animal models of noise induced hearing loss and which has been proposed in clinical trials.
Teledermatology for Common Inflammatory Skin Conditions: The Medicine of the Future?
Authors: Martora Fabrizio , Fabbrocini Gabriella , Megna Matteo , Scalvenzi Massimiliano , Battista Teresa , Villani Alessia , Potestio Luca
Published: April 2023

Background: The COVID-19 pandemic period revolutionized daily clinical practice. Several strategies were adopted by clinicians to avoid reducing treatment for diseases without the risk of spreading the infection. Among the adopted strategies, telemedicine played a key role. In this scenario, several tools were used, including e-mails, phone calls, video calls, support groups, and messages. Fortunately, the COVID-19 pandemic period seems to be at an end. However, the use of teledermatology appears to be an excellent strategy for the future as well. Indeed, several patients may benefit from teledermatology. Objective: In this manuscript, we aim to investigate the use of telemedicine in the dermatological field to point out how this tool may become the mainstay of future medicine. Only the use of teledermatology with common inflammatory skin conditions have been reported herein. Materials and Methods: Investigated manuscripts included metanalyses, reviews, letters to the editor, real-life studies, case series, and reports. Manuscripts were identified, screened, and extracted for relevant data following the PRISMA (preferred reporting items for systematic reviews and meta-analyses) guidelines. Results: A total of 121 records were identified from the analyzed databases. However, only 110 articles were assessed for eligibility. Finally, 92 articles were selected at the end of the literature research for our review. Conclusions: Teledermatology should be considered as a viable option for the dermatologist for the future. We believe that the pandemic has strengthened this service, and this will allow for ever better development in the future. Guidelines regarding the use of teledermatology are required as well as additional improvements for the future.
3a-(4-Chlorophenyl)-1-methyl-3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one: Synthesis and In Silico Evaluation as a Ligand in the µ-Opioid Receptor
Authors: Defant Andrea , Innocenti Nicole , Mancini Ines
Published: April 2023

In the search for fused heterocycle molecules with potential biological activities, the new title compound was produced in racemic form via a four step-synthetic sequence with an overall yield of 60%. It was structurally characterised via 1H-, 13C-NMR and IR analyses, and the molecular composition was confirmed through a high-resolution MS experiment. After predicting its analgesic activity using PASS online software, wherein a good overlap between its enantiomers and the structure of the natural opioid morphine was observed, the compound was evaluated through docking calculations as a ligand of the µ-opioid receptor. The resulting energy values and interactions were comparable to the data obtained for morphine and its synthetic derivative fentanyl, which is used in the therapeutic treatment of severe forms of pain. Moreover, the title compound displayed favourable predicted blood–brain barrier permeation and drug-likeness.
Influence of Profile Geometry on Frictional Energy Dissipation in a Dry, Compliant Steel-on-Steel Fretting Contact: Macroscopic Modeling and Experiment
Authors: Willert Emanuel
Published: April 2023

Dry, frictional steel-on-steel contacts under small-scale oscillations are considered experimentally and theoretically. As indenting bodies, spheres, and truncated spheres are used to retrace the transition from smooth to sharp contact profile geometries. The experimental apparatus is built as a compliant setup, with the characteristic macroscopic values of stiffness being comparable to or smaller than the contact stiffness of the fretting contact. A hybrid macroscopic–contact model is formulated to predict the time development of the macroscopic contact quantities (forces and global relative surface displacements), which are measured in the experiments. The model is well able to predict the macroscopic behavior and, accordingly, the frictional hysteretic losses observed in the experiment. The change of the indenter profile from spherical to truncated spherical “pushes” the fretting contact towards the sliding regime if the nominal normal force and tangential displacement oscillation amplitude are kept constant. The transition of the hysteretic behavior, depending on the profile geometry from the perfectly spherical to the sharp flat-punch profile, occurs for the truncated spherical indenter within a small margin of the radius of its flat face. Already for a flat face radius which is roughly equal to the contact radius for the spherical case, the macroscopic hysteretic behavior cannot be distinguished from a flat punch contact with the same radius. The compliance of the apparatus (i.e., the macrosystem) can have a large influence on the energy dissipation and the fretting regime. Below a critical value for the stiffness, the fretting contact exhibits a sharp transition to the “sticking” regime. However, if the apparatus stiffness is large enough, the hysteretic behavior can be controlled by changing the profile geometry.
Further Optimization of Maxwell-Type Dynamic Vibration Absorber with Inerter and Negative Stiffness Spring Using Particle Swarm Algorithm
Authors: Chen Yuying , Li Jing , Zhu Shaotao , Zhao Hongzhen
Published: April 2023

Dynamic vibration absorbers (DVAs) are widely used in engineering practice because of their good vibration control performance. Structural design or parameter optimization could improve its control efficiency. In this paper, the viscoelastic Maxwell-type DVA model with an inerter and multiple stiffness springs is investigated with the combination of the traditional theory and an intelligent algorithm. Firstly, the expressions and approximate optimal values of the system parameters are obtained using the fixed-point theory to deal with the H∞ optimization problem, which can provide help with the range of parameters in the algorithm. Secondly, we innovatively introduce the particle swarm optimization (PSO) algorithm to prove that the algorithm could adjust the value of the approximate solution to minimize the maximum amplitude by analyzing and optimizing the single variable and four variables. Furthermore, the validity of the parameters is further verified by simulation between the numerical solution and the analytical solution using the fourth-order Runge–Kutta method. Finally, the DVA demonstrated in this paper is compared with typical DVAs under random excitation. The timing sequence and variances, as well as the decreased ratios of the displacements, show that the presented DVA has a more satisfactory control performance. The inerter and negative stiffness spring can indeed bring beneficial effects to the vibration absorber. Remarkably, the intelligent algorithm can make the resonance peaks equal in the parameter optimization of the vibration absorber, which is quite difficult to achieve with theoretical methods at present. The results may provide a theoretical and computational basis for the optimization design of DVA.
Biharmonic Maps on f-Kenmotsu Manifolds with the Schouten–van Kampen Connection
Authors: El hendi Hichem
Published: April 2023

The object of the present paper was to study biharmonic maps on f-Kenmotsu manifolds and f-Kenmotsu manifolds with the Schouten–van Kampen connection. With the help of this connection, our results provided important insights related to harmonic and biharmonic maps.
Preface to the Special Issue on “Identification, Knowledge Engineering and Digital Modeling for Adaptive and Intelligent Control”—Special Issue Book
Authors: Bakhtadze Natalia
Published: April 2023

Starting our work on this Special Issue, we assumed that the research results presented here would reflect the solutions to various problems related to production management; however, the set of identified problems showed that their solutions could be useful for a wider range of applications [...]
Observability of Discrete-Time Two-Time-Scale Multi-Agent Systems with Heterogeneous Features under Leader-Based Architecture
Authors: Gu Mengqi , Jiang Guo-Ping
Published: April 2023

This paper investigates the observability of discrete-time two-time-scale multi-agent systems with heterogeneous features under leader–follower architecture. First, a singular perturbation difference model for the discussed system is established based on consensus agreement. Second, to eliminate the numerical ill-posed problem that may arise from the singularly perturbed small parameter that distinguishes different time scales in the observability analysis, the order of the system model is reduced using the boundary layer theory of the singular perturbation system to obtain a slow-time-scale subsystem and a fast-time-scale subsystem. Then, based on the matrix theory, some algebraic and graphical features that guarantee the observability of the system are obtained. Finally, the validity of the theoretical results is verified by a numerical example.
Pan-Cancer Analysis Reveals PPRC1 as a Novel Prognostic Biomarker in Ovarian Cancer and Hepatocellular Carcinoma
Authors: Ruan Xingqiu , Cui Guoliang , Li Changyu , Sun Zhiguang
Published: April 2023

Background and Objectives: As is well understood, peroxisome proliferator-activated receptor gamma cofactor-related 1 (PPRC1) plays a central role in the transcriptional control of the mitochondrial biogenesis and oxidative phosphorylation (OXPHOS) process, yet its critical role in pan-cancer remains unclear. Materials and Methods: In this paper, the expression levels of PPRC1 in different tumor tissues and corresponding adjacent normal tissues were analyzed based on four databases: The Genotype-Tissue Expression (GTEx), Cancer Cell Line Encyclopedia (CCLE), The Cancer Genome Atlas (TCGA), and Tumor Immune Estimation Resource (TIMER). Meanwhile, the prognostic value of PPRC1 was inferred using Kaplan–Meier plotter and forest-plot studies. In addition, the correlation between PPRC1 expression and tumor immune cell infiltration, immune checkpoints, and the tumor-stemness index was analyzed using TCGA and TIMER databases. Results: According to our findings, the expression level of PPRC1 was found to be different in different cancer types and there was a positive correlation between PPRC1 expression and prognosis in several tumor types. In addition, PPRC1 expression was found to be significantly correlated with immune cell infiltration, immune checkpoints, and the tumor-stemness index in both ovarian and hepatocellular carcinoma. Conclusions: PPRC1 demonstrated promising potential as a novel biomarker in pan-cancer due to its potential association with immune cell infiltration, expression of immune checkpoints, and the tumor-stemness index.
Fatigue Crack Growth in a Monocrystal and Its Similarity to Short-Crack Propagation in a Polycrystal of Nickel
Authors: Petel Avihai , Jager Ales , Babai Dotan , Jopp Juergen , Bussiba Arie , Perl Mordechai , Shneck Roni Z.
Published: April 2023

Short fatigue cracks in polycrystalline materials are very important from both practical and basic aspects, yet they are very difficult to observe. Therefore, it is suggested to emulate some properties of short cracks with long fatigue cracks in monocrystals. Indeed, such experiments in pure nickel crystals prove that the three peculiar properties of short fatigue cracks in polycrystalline metals are observed in long cracks in monocrystals, i.e., a lower threshold of the stress intensity factor (ΔKI)th, a higher crack propagation rate at low ΔKI regimes, and the fact that different cracks exhibit different growth behaviors. The fatigue experiments in monocrystals reveal interesting details of the slip activity at the front of fatigue cracks, including a selection rule for the active slip systems above and below the crack, the slip behavior under conditions of steep strain gradients, and the activation of a new slip system.
Nano-Biosensors Based on Noble Metal and Semiconductor Materials: Emerging Trends and Future Prospects
Authors: Feng Liya , Song Shujia , Li Haonan , He Renjie , Chen Shaowen , Wang Jiali , Zhao Guo , Zhao Xiande
Published: April 2023

The aim of this review is to gather current researches into sensors based on noble metal and semiconductor nanomaterials in biomedical detection and elucidate the basic principle and applications of different sorts of semiconductor nanomaterials, i.e., metal oxide NPs, transition metal dichalcogenides (TMDs), metal-organic frameworks (MOFs) and magnetic metal oxide (MMO) NPs. Based on the classifications of nano-biosensors, they can be summarized as electrochemical nano-biosensors, optical nano-biosensors, calorimetric nano-biosensors, and piezoelectric nano-biosensors, wherein, electrochemical and optical nano-biosensors acting as most popular study objects are focused on to excavate the great improvements in excellent sensitivity, selectivity and stability based on fabrication techniques.
Correlations between Cognitive Evaluation and Metabolic Syndrome
Authors: Oprescu Andrei Cătălin , Grosu Cristina , Bild Walther
Published: April 2023

One of the most common medical diseases is metabolic syndrome (MetS), which encompasses diabetes and obesity. It has a systemic effect, which has long-lasting consequences on the body that are still not fully understood. The objectives of the study were to investigate the association between the severity of metabolic imbalances, insulin resistance, leptin concentration, and the presence of cognitive disorders and to assess the possible protective role of some classes of drugs used in the treatment of type 2 diabetes mellitus (T2D) and dyslipidemia in order to identify a viable target in the near future. The study included 148 diabetic patients. Standardized tests for the evaluation of cognition, including Mini-Mental State Examination (MMSE) and Montreal Cognitive Assessment (MoCA), were applied to all study participants. Serum concentrations of leptin and insulin were determined using the enzyme-linked immunosorbent assay method (ELISA), and insulin resistance was calculated using the homeostatic model assessment for insulin resistance (HOMA-IR). We found that MMSE and MoCA scores were associated with anthropometric parameters, and MoCA was associated with glycemic control parameters and leptin levels. Further research is needed in order to establish the magnitude of the relationship between metabolic syndrome components and cognitive decline in diabetic patients.
Hospitalization Burden of Patients with Kidney Stones and Metabolic Comorbidities in Spain during the Period 2017–2020
Authors: Sáenz-Medina Javier , San Román Jesús , Rodríguez-Monsalve María , Durán Manuel , Carballido Joaquín , Prieto Dolores , Gil Miguel Ángel
Published: April 2023

Nephrolithiasis has become an increasing worldwide problem during the last decades. Metabolic syndrome, its components, and related dietary factors have been pointed out as responsible for the increasing incidence. The objective of this study was to evaluate the trends in the hospitalization rates of patients with nephrolithiasis, hospitalization features, costs, and how metabolic syndrome traits influence both the prevalence and complications of lithiasic patients. An observational retrospective study was conducted by analyzing hospitalization records from the minimum basic data set, including all patient hospitalizations in Spain in which nephrolithiasis has been coded as a main diagnosis or as a comorbidity during the period 2017–2020. A total of 106,407 patients were hospitalized and coded for kidney or ureteral lithiasis in this period. The mean age of the patients was 58.28 years (CI95%: 58.18–58.38); 56.8% were male, and the median length of stay was 5.23 days (CI95%: 5.06–5.39). In 56,884 (53.5%) patients, kidney or ureteral lithiasis were coded as the main diagnosis; the rest of the patients were coded mostly as direct complications of kidney or ureteral stones, such as “non-pecified renal colic”, “acute pyelonephritis”, or “tract urinary infection”. The hospitalization rate was 56.7 (CI95%: 56.3–57.01) patients per 100,000 inhabitants, showing neither a significant increasing nor decreasing trend, although it was influenced by the COVID-19 pandemic. The mortality rate was 1.6% (CI95%: 1.5–1.7), which was higher, if lithiasis was coded as a comorbidity (3.4% CI95%: 3.2–3.6). Metabolic syndrome diagnosis component codes increased the association with kidney lithiasis when age was higher, reaching the highest in the eighth decade of life. Age, diabetes, and hypertension or lithiasis coded as a comorbidity were the most common causes associated with the mortality of lithiasic patients. In Spain, the hospitalization rate of kidney lithiasis has remained stable during the period of study. The mortality rate in lithiasic patients is higher in elderly patients, being associated with urinary tract infections. Comorbidity conditions such as diabetes mellitus and hypertension are mortality predictors.
Capture ELISA for KPC Detection in Gram-Negative Bacilli: Development and Standardisation
Authors: Valencio André , da Silva Miriam Aparecida , Santos Fernanda Fernandes , Polatto Juliana Moutinho , Machado Marcelo Marcondes Ferreira , Piazza Roxane Maria Fontes , Gales Ana Cristina
Published: April 2023

The detection of KPC-type carbapenemases is necessary for guiding appropriate antibiotic therapy and the implementation of antimicrobial stewardship and infection control measures. Currently, few tests are capable of differentiating carbapenemase types, restricting the lab reports to their presence or not. The aim of this work was to raise antibodies and develop an ELISA test to detect KPC-2 and its D179 mutants. The ELISA-KPC test was designed using rabbit and mouse polyclonal antibodies. Four different protocols were tested to select the bacterial inoculum with the highest sensitivity and specificity rates. The standardisation procedure was performed using 109 previously characterised clinical isolates, showing 100% of sensitivity and 89% of specificity. The ELISA-KPC detected all isolates producing carbapenemases, including KPC variants displaying the ESBL phenotype such as KPC-33 and -66.
Evaluation of Potential Probiotic Properties of Limosilactobacillus fermentum Derived from Piglet Feces and Influence on the Healthy and E. coli-Challenged Porcine Intestine
Authors: Qian Mengqi , Zhou Xinchen , Xu Tingting , Li Meng , Yang Zhiren , Han Xinyan
Published: April 2023

In this work, we evaluated the probiotic properties of Limosilactobacillus fermentum strains (FL1, FL2, FL3, FL4) isolated from feces of healthy piglets. The in vitro auto-aggregation, hydrophobicity, biofilm-forming capacity, survival in the gastrointestinal tract, antimicrobial activity and anti-oxidation capacity were evaluated. Four strains were resistant to simulated gastrointestinal conditions, including low pH, pepsin, trypsin and bile salts. They also maintained strong self-aggregation and cell surface hydrophobicity. Limosilactobacillus fermentum FL4, which had the strongest adhesion ability and antimicrobial effect on Enterotoxigenic Escherichia coli K88 (ETEC K88), was then tested in porcine intestinal organoid models. The in vitro experiments in basal-out and apical-out organoids demonstrated that L. fermentum FL4 adhered to the apical surfaces more efficiently than basolateral surfaces, had the ability to activate the Wnt/β-catenin pathway to protect the mucosal barrier integrity, stimulated the proliferation and differentiation of the intestinal epithelium, and repaired ETEC K88-induced damage. Moreover, L. fermentum FL4 inhibited inflammatory responses induced by ETEC K88 through the reduced expression of pro-inflammatory cytokines (TNF-α, IL-1β and IFN-γ) and higher levels of anti-inflammatory cytokines (TGF-β and IL-10). These results show that L. fermentum FL4 isolated from feces of healthy Tunchang piglets has the potential to be used as an anti-inflammatory probiotic and for mitigation of intestinal damage in piglets.
Controllable Synthesis of Trifluoromethyl- or gem-Difluorovinyl-containing Analogues of Neonicotinoids by the Reaction of α-(Trifluoromethyl)styrenes with 2-Nitroimino-imidazolidine
Authors: He Jingjing , Sun Zhudi , Deng Yupian , Liu Ying , Zheng Pai , Cao Song
Published: April 2023

A simple and straightforward addition or defluorination of α-(trifluoromethyl)styrenes with 2-nitroimino-imidazolidine (2a), 2-(nitromethylene)imidazolidine (2b), 2-cyanoimino-thiazolidine (2c), and (E)-1-methyl-2-nitroguanidine (2d), in a controlled manner, was developed. The hydroamination of α-(trifluoromethyl)styrenes with 2a, 2b, 2c, and 2d was completed in the presence of DBN at room temperature within 0.5–6 h, affording structurally diverse β-trifluoromethyl-β-arylethyl analogues of neonicotinoids in moderate to good yields. The γ,γ-difluoro-β-arylallyl analogues of neonicotinoids were also successfully synthesized via defluorination of α-(trifluoromethyl)styrenes, with 2a and 2c using NaH as base at an elevated temperature together with a prolonged reaction time of 12 h. The method features simple reaction setup, mild reaction conditions, broad substrate scope, high functional group compatibility, and easy scalability.
Panchromatic Light-Absorbing [70]Fullerene-Perylene-BODIPY Triad with Cascade of Energy Transfer as an Efficient Singlet Oxygen Sensitizer
Authors: Dou Lifeng , Li Yuanming , Dong Lei , Zhang Shuao , Wu Yuanqi , Gong Yu , Yang Wei , Lu Hongdian , Zhu Sane , Zhou Xiaoguo
Published: April 2023

A panchromatic light-absorbing [70]fullerene-perylene-BODIPY triad (C70-P-B) was synthesized and applied as a heavy atom-free organic triplet photosensitizer for photooxidation. The photophysical processes were comprehensively investigated by the methods of steady-state spectroscopy, time-resolved spectroscopy, as well as theoretical calculations. C70-P-B shows a strong absorption ability from 300–620 nm. Efficient cascading intramolecular singlet-singlet energy transfer in C70-P-B was confirmed by the luminescence study. The backward triplet excited state energy transfer from C70 moiety to perylene then occurs to populate 3perylene*. Thus, the triplet excited states of C70-P-B are distributed on both C70 and perylene moiety with lifetimes of 23 ± 1 μs and 175 ± 17 μs, respectively. C70-P-B exhibits excellent photooxidation capacity, and its yield of singlet oxygen reaches 0.82. The photooxidation rate constant of C70-P-B is 3.70 times that of C70-Boc and 1.58 times that of MB, respectively. The results in this paper are useful for designing efficient heavy atom-free organic triplet photosensitizers for practical application in photovoltaics, photodynamic therapy, etc.
LiNi0.6Co0.2Mn0.2O2 Cathode-Solid Electrolyte Interfacial Behavior Characterization Using Novel Method Adopting Microcavity Electrode
Authors: Ingole Rahul S. , Rajagopal Rajesh , Mukhan Orynbassar , Kim Sung-Soo , Ryu Kwang-Sun
Published: April 2023

Due to the limitations of organic liquid electrolytes, current development is towards high performance all-solid-state lithium batteries (ASSLBs). For high performance ASSLBs, the most crucial is the high ion-conducting solid electrolyte (SE), with a focus on interface analysis between SE and active materials. In the current study, we successfully synthesized the high ion-conductive argyrodite-type (Li6PS5Cl) solid electrolyte, which has 4.8 mS cm−1 conductivity at room temperature. Additionally, the present study suggests the quantitative analysis of interfaces in ASSLBs. The measured initial discharge capacity of a single particle confined in a microcavity electrode was 1.05 nAh for LiNi0.6Co0.2Mn0.2O2 (NCM622)-Li6PS5Cl solid electrolyte materials. The initial cycle result shows the irreversible nature of active material due to the formation of the solid electrolyte interphase (SEI) layer on the surface of the active particle; further second and third cycles demonstrate high reversibility and good stability. Furthermore, the electrochemical kinetic parameters were calculated through the Tafel plot analysis. From the Tafel plot, it is seen that asymmetry increases gradually at high discharge currents and depths, which rise asymmetricity due to the increasing of the conduction barrier. However, the electrochemical parameters confirm the increasing conduction barrier with increased charge transfer resistance.
Preparation of Nanocellulose-Based Aerogel and Its Research Progress in Wastewater Treatment
Authors: Zhao Jiaxin , Yuan Xushuo , Wu Xiaoxiao , Liu Li , Guo Haiyang , Xu Kaimeng , Zhang Lianpeng , Du Guanben
Published: April 2023

Nowadays, the fast expansion of the economy and industry results in a considerable volume of wastewater being released, severely affecting water quality and the environment. It has a significant influence on the biological environment, both terrestrial and aquatic plant and animal life, and human health. Therefore, wastewater treatment is a global issue of great concern. Nanocellulose’s hydrophilicity, easy surface modification, rich functional groups, and biocompatibility make it a candidate material for the preparation of aerogels. The third generation of aerogel is a nanocellulose-based aerogel. It has unique advantages such as a high specific surface area, a three-dimensional structure, is biodegradable, has a low density, has high porosity, and is renewable. It has the opportunity to replace traditional adsorbents (activated carbon, activated zeolite, etc.). This paper reviews the fabrication of nanocellulose-based aerogels. The preparation process is divided into four main steps: the preparation of nanocellulose, gelation of nanocellulose, solvent replacement of nanocellulose wet gel, and drying of nanocellulose wet aerogel. Furthermore, the research progress of the application of nanocellulose-based aerogels in the adsorption of dyes, heavy metal ions, antibiotics, organic solvents, and oil-water separation is reviewed. Finally, the development prospects and future challenges of nanocellulose-based aerogels are discussed.
Effect of Direct Steam Injection and Instantaneous Ultra-High-Temperature (DSI-IUHT) Sterilization on the Physicochemical Quality and Volatile Flavor Components of Milk
Authors: Ding Hao , Han Zhaosheng , Wang Bei , Wang Yadong , Ran Yawen , Zhang Liebing , Li Yan , Lu Chun , Lu Xiaoli , Ma Ligang
Published: April 2023

The effects of variations in the heat treatment process of milk on its quality and flavor are inevitable. This study investigated the effect of direct steam injection and instantaneous ultra-high-temperature (DSI-IUHT, 143 °C, 1–2 s) sterilization on the physicochemical properties, whey protein denaturation (WPD) rate, and volatile compounds (VCs) of milk. The experiment compared raw milk as a control with high-temperature short-time (HTST, 75 °C 15 s and 85 °C 15 s) pasteurization and indirect ultra-high-temperature (IND-UHT, 143 °C, 3–4 s) sterilization. The results showed no significant differences (p > 0.05) in physical stability between milk samples with different heat treatments. The DSI-IUHT and IND-UHT milks presented smaller particle sizes (p < 0.05) and more concentrated distributions than the HTST milk. The apparent viscosity of the DSI-IUHT milk was significantly higher than the other samples (p < 0.05) and is consistent with the microrheological results. The WPD of DSI-IUHT milk was 27.52% lower than that of IND-UHT milk. Solid-phase microextraction (SPME) and solvent-assisted flavor evaporation (SAFE) were combined with the WPD rates to analyze the VCs, which were positively correlated with ketones, acids, and esters and negatively associated with alcohols, heterocycles, sulfur, and aldehydes. The DSI-IUHT samples exhibited a higher similarity to raw and HTST milk than the IND-UHT samples. In summary, DSI-IUHT was more successful in preserving the milk’s quality due to its milder sterilization conditions compared to IND-UHT. This study provides excellent reference data for the application of DSI-IUHT treatment in milk processing.
Rapid Elution of 226Th from a Two-Column 230U/226Th Generator with Diluted and Buffer Solutions
Authors: Ermolaev Stanislav V. , Skasyrskaya Aino K. , Vasiliev Aleksandr N.
Published: April 2023

A radionuclide generator of the short-lived alpha emitter 226Th was proposed. An original scheme consisting of two in-series chromatographic columns was developed for rapidly producing a neutral citric-buffered eluate of high purity 226Th. The first column filled with TEVA resin retained the parent 230U, while 226Th was eluted with 7 M HCl solution to be immediately adsorbed on the second column containing DGA resin or UTEVA resin. Having substituted the strongly acidic medium of second column with neutral salt solution, 226Th was desorbed with diluted citric buffer solution. One cycle of generator milking took 5–7 min and produced >90% of 226Th in 1.5 mL of eluate (pH 4.5–5.0) appropriate for direct use in radiopharmaceutical synthesis. The 230U impurity in 226Th eluate was less than 0.01%. The proposed two-column 230U/226Th generator was tested over 2 months including a second loading of 230U additionally accumulated from 230Pa.
Nontrivial Topological Properties and Synthesis of Sn2CoS with L21 Structure
Authors: Chen Guifeng , Long Bolin , Jin Lei , Zhang Hui , Cheng Zishuang , Zhang Xiaoming , Liu Guodong
Published: April 2023

We synthesize Sn2CoS in experiment and study its topological properties in theory. By first-principles calculations, we study the band structure and surface state of Sn2CoS with L21 structure. It is found that the material has type-II nodal line in the Brillouin zone and clear drumhead-like surface state when the spin–orbit coupling is not considered. In the case of spin–orbit coupling, the nodal line will open gap, leaving the Dirac points. To check the stability of the material in nature, we synthesize Sn2CoS nanowires with L21 structure in an anodic aluminum oxide (AAO) template directly by the electrochemical deposition (ECD) method with direct current (DC). Additionally, the diameter of the typical Sn2CoS nanowires is about 70 nm, with a length of about 70 μm. The Sn2CoS nanowires are single crystals with an axis direction of [100], and the lattice constant determined by XRD and TEM is 6.0 Å. Overall, our work provides realistic material to study the nodal line and Dirac fermions.