bluuebunny/crossref_metadata_2025 huggingface dataset:
Nano-Fe3O4/Carbon Nanotubes Composites by One-Pot Microwave Solvothermal Method for Supercapacitor Applications
Authors: Park Sul Ki , Sure Jagadeesh , Vishnu D. Sri Maha , Jo Seong Jun , Lee Woo Cheol , Ahmad Ibrahim A. , Kim Hyun-Kyung
Published: May 2021

Carbon nanotubes (CNTs) are being increasingly studied as electrode materials for supercapacitors (SCs) due to their high electronic conductivity and chemical and mechanical stability. However, their energy density and specific capacitance have not reached the commercial stage due to their electrostatic charge storage system via a non-faradic mechanism. Moreover, magnetite (Fe3O4) exhibits higher specific capacitance originating from its pseudocapacitive behaviour, while it has irreversible volume expansion during cycling. Therefore, a very interesting and facile strategy to arrive at better performance and stability is to integrate CNTs and Fe3O4. In this study, we demonstrate the microwave-solvothermal process for the synthesis of Fe3O4 nanoparticles uniformly grown on a CNT composite as an electrode for SCs. The synthesized Fe3O4/CNT composite delivers a reversible capacitance of 187.1 F/g at 1 A/g, superior rate capability by maintaining 61.6% of 10 A/g (vs. 1 A/g), and cycling stability of 80.2% after 1000 cycles at 1 A/g.
Methods of Stability Control of Perovskite Solar Cells for High Efficiency
Authors: Muradov Abyl , Frolushkina Daria , Samusenkov Vadim , Zhamanbayeva Gulsara , Kot Sebastian
Published: May 2021

The increasing demand for renewable energy devices over the past decade has motivated researchers to develop new and improve the existing fabrication techniques. One of the promising candidates for renewable energy technology is metal halide perovskite, owning to its high power conversion efficiency and low processing cost. This work analyzes the relationship between the structure of metal halide perovskites and their properties along with the effect of alloying and other factors on device stability, as well as causes and mechanisms of material degradation. The present work discusses the existing approaches for enhancing the stability of PSC devices through modifying functional layers. The advantages and disadvantages of different methods in boosting device efficiency and reducing fabrication cost are highlighted. In addition, the paper presents recommendations for the enhancement of interfaces in PSC structures.
The Effect of the Substrate on the Optic Performance of Retro-Reflective Coatings: An In-Lab Investigation
Authors: Di Giuseppe Alessia , Cardinali Marta , Castellani Beatrice , Filipponi Mirko , Gambelli Alberto Maria , Postrioti Lucio , Nicolini Andrea , Rossi Federico
Published: May 2021

Retro-reflectivity is a promising surface capability, which has attracted the interest of researchers for building applications in order to counteract Urban Heat Island (UHI) effects. This work aims at studying the impact of the substrate material on the optic performance of retro-reflective (RR) coatings. Three types of substrate materials were investigated: smooth pine wood panels, rough plywood panels, and smooth acetate sheets. The RR coating samples were made by firstly adding a high reflective white paint onto the substrate material and a homogeneous RR glass beads layer on the top. As a reference case, also diffusive samples, without RR beads, were developed. Samples have been tested through a spectrophotometric and an angular reflectivity analysis. Results show that, despite a lower global reflectance of the RR samples with respect to the diffusive ones, the glass beads coating provides a good retro-reflective capability to all the diffusive samples. Additionally, the roughest RR sample exhibited the highest RR capability of up to 16%, with respect to the other smoother samples. Future developments may involve the optimum design of RR coatings, in terms of their optic performance by varying the substrate materials and roughness, the glass beads density and dimension.
Reliability and Economic Evaluation of Offshore Wind Power DC Collection Systems
Authors: Sun Ruijuan , Abeynayake Gayan , Liang Jun , Wang Kewen
Published: May 2021

One key directive to realize the global transition towards net-zero emission goals is to integrate more renewable energy resources into the generation mix. Due to higher and more consistent wind speeds, offshore wind farms (OWFs) have the potential to generate more energy at a steadier rate than their onshore counterpart. However, at the collection system level, all the OWFs use alternating current (AC) technology at present. Nonetheless, with an increasing capacity of the single wind turbine (WT) and larger distances to the shore, the use of direct current (DC) technology at the collection system level is beneficial. To select a suitable DC collection system topology, this paper proposes a comprehensive analytical reliability evaluation method, based on the Universal Generating Function technique, together with associated economic factors. Four candidates DC collection system options were evaluated with different WT capacities for a 400 MW OWF. The availability indices such as Generation Ratio Availability and Expected Energy Not Supplied were used to assess their reliability levels. The results show that the radial topology with a single platform DC/DC converter is more reliable and economical than the other candidate options.
Distributed Thermal Energy Storage Configuration of an Urban Electric and Heat Integrated Energy System Considering Medium Temperature Characteristics
Authors: Wei Wei , Guo Yusong , Hou Kai , Yuan Kai , Song Yi , Jia Hongjie , Sun Chongbo
Published: May 2021

Distributed thermal energy storage (DTES) provides specific opportunities to realize the sustainable and economic operation of urban electric heat integrated energy systems (UEHIES). However, the construction of the theory of the model and the configuration method of thermal storage for distributed application are still challenging. This paper analyzes the heat absorption and release process between the DTES internal heat storage medium and the heat network transfer medium, refines the relationship between heat transfer power and temperature characteristics, and establishes a water thermal energy storage and electric heater phase change thermal energy storage model, considering medium temperature characteristics. Combined with the temperature transmission delay characteristics of a heat network, a two-stage optimal configuration model of DTES for UEHIES is proposed. The results show that considering the temperature characteristics in the configuration method can accurately reflect the performance of DTES, enhance wind power utilization, improve the operation efficiency of energy equipment, and reduce the cost of the system.
Optimization of Modernization of a Single-Family Building in Poland Including Thermal Comfort
Authors: Zawada Bernard , Rucińska Joanna
Published: May 2021

The impact of thermal comfort demand on the renovation process was carried out on an optimization basis for the thermo-modernization process of an exemplary single-family home located in Warsaw. The verified TRNSYS simulation program was used to generate a set of variants of building modernization solutions. This variants set was used afterwards as a database for optimization. The analysis performed includes the internal air temperature, indicators of thermal comfort (PPD), and annual energy demand for heating and cooling, and investment costs of modernization building. The results indicated the importance of analyzing various variants of building modernization solutions. Performing modernization without analyzing its effects can have positive as well as negative consequences, e.g., achieving a significant reduction in the primary energy demands at the expense of the deteriorated thermal comfort of users. It was shown that separate analysis of indicators leads to completely different solutions and should not be recommended during modernization of single-family buildings.
Biochemical and Gene Expression Analyses in Different Poplar Clones: The Selection Tools for Afforestation of Halomorphic Environments
Authors: Galović Vladislava , Kebert Marko , Popović Boris M. , Kovačević Branislav , Vasić Verica , Joseph Mary Prathiba , Orlović Saša , Szabados László
Published: May 2021

Halomorphic soils cover a significant area in the Vojvodina region and represent ecological and economic challenges for agricultural and forestry sectors. In this study, four economically important Serbian poplar clones were compared according to their biochemical and transcriptomic responses towards mild and severe salt stress to select the most tolerant clones for afforestation of halomorphic soils. Three prospective clones of Populus deltoides (Bora-B229, Antonije-182/81 and PE19/66) and one of hybrid genetic background P. nigraxP. deltoides, e.g., P. x euramericana (Pannonia-M1) were hydroponically subjected to NaCl as a salt stress agent in a concentration range from 150 mM to 450 mM. Plant responses were measured at different time periods in the leaves. Biochemical response of poplar clones to salt stress was estimated by tracking several parameters such as different radical scavenging capacities (estimated by DPPH, FRAP and ABTS assays), accumulation of total phenolic content and flavonoids. Furthermore, accumulation of two osmolytes, glycine betaine and proline, were quantified. The genetic difference of those clones has been already shown by single nucleotide polymorphisms (SNPs) but this paper emphasized their differences regarding biochemical and transcriptomic salt stress responses. Five candidate genes, two putative poplar homologues of GRAS family TFs (PtGRAS17 and PtGRAS16), PtDREB2 of DREB family TFs and two abiotic stress-inducible genes (PtP5SC1, PtSOS1), were examined for their expression profiles. Results show that most salt stress-responsive genes were induced in clones M1 and PE19/66, thus showing they can tolerate salt environments with high concentrations and could be efficient in phytoremediation of salt environments. Clone M1 and PE19/66 has ABA-dependent mechanisms expressing the PtP5CS1 gene while clone 182/81 could regulate the expression of the same gene by ABA-independent pathway. To improve salt tolerance in poplar, two putative GRAS/SCL TFs and PtDREB2 gene seem to be promising candidates for genetic engineering of salt-tolerant poplar clones.
Improvement of a Yairipok Chujak Maize Landrace from North Eastern Himalayan Region for β-Carotene Content through Molecular Marker-Assisted Backcross Breeding
Authors: Qutub Maqbool , Chandran Sarankumar , Rathinavel Krishnakumar , Sampathrajan Vellaikumar , Rajasekaran Ravikesavan , Manickam Sudha , Adhimoolam Karthikeyan , Muniyandi Samuel Jeberson , Natesan Senthil
Published: May 2021

In the North Eastern Himalayan region (NEHR) of India, maize is an important food crop. The local people cultivate the maize landraces and consume them as food. However, these landraces are deficient in β-carotene content. Thus, we aimed to incorporate the crtRB1 gene from UMI285β+ into the genetic background of the NEHR maize landrace, Yairipok Chujak (CAUM66), and thereby enhance the β-carotene content through marker-assisted backcrossing (MABC). In this regard, we backcrossed and screened BC1F1 and BC2F1 plants possessing the heterozygous allele for crtRB1 and then screened with 106 polymorphic simple sequence repeat (SSR) markers. The plants having maximum recurrent parent genome recovery (RPGR) were selected in each generation and selfed to produce BC2F2 seeds. In the BC2F2 generation, four plants (CAUM66-54-9-12-2, CAUM66-54-9-12-11, CAUM66-54-9-12-13, and CAUM66-54-9-12-24) having homozygous crtRB1-favorable allele with maximum RPGR (86.74–90.16%) were selected and advanced to BC2F3. The four selected plants were selfed to produce BC2F3 and then evaluated for agronomic traits and β-carotene content. The agronomic performance of the four lines was similar (78.83–99.44%) to that of the recurrent parent, and β-carotene content (7.541–8.711 μg/g) was on par with the donor parent. Our study is the first to improve the β-carotene content in NEHR maize landrace through MABC. The newly developed lines could serve as potential resources to further develop nutrition-rich maize lines and could provide genetic stock for use in breeding programs.
Impact of Snoring on Telomere Shortening in Adolescents with Atopic Diseases
Authors: Tung Keith T. S. , Wong Rosa S. , Tsang Hing-Wai , Chua Gilbert T. , Chan Dicky , Chan Kate C. , Wong Wilfred H. S. , Yam Jason C. , Ho Marco , Tham Clement C. , Wong Ian C. K. , Chan Godfrey C. F. , Ip Patrick
Published: May 2021

Atopic diseases can impose a significant burden on children and adolescents. Telomere length is a cellular marker of aging reflecting the impact of cumulative stress exposure on individual health. Since elevated oxidative stress and inflammation burden induced by chronic atopy and snoring may impact telomere length, this study aimed to investigate whether snoring would moderate the relationship between atopic diseases and telomere length in early adolescence. We surveyed 354 adolescents and their parents. Parents reported the adolescents’ history of atopic diseases, recent snoring history as well as other family sociodemographic characteristics. Buccal swab samples were also collected from the adolescents for telomere length determination. Independent and combined effects of atopic diseases and snoring on telomere length were examined. Among the surveyed adolescents, 174 were reported by parents to have atopic diseases (20 had asthma, 145 had allergic rhinitis, 53 had eczema, and 25 had food allergy). Shorter TL was found in participants with a history of snoring and atopic diseases (β = −0.34, p = 0.002) particularly for asthma (β = −0.21, p = 0.007) and allergic rhinitis (β = −0.22, p = 0.023). Our findings suggest that snoring in atopic patients has important implications for accelerated telomere shortening. Proper management of atopic symptoms at an early age is important for the alleviation of long-term health consequences at the cellular level.
The Utility of 18FDG-PET/CT in Diagnosing Fever of Unknown Origin: The Experience of a Large Tertiary Medical Center
Authors: Mahajna Hussein , Vaknin Keren , Ben Shimol Jennifer , Watad Abdulla , Abu-Much Arsalan , Mahroum Naim , Shovman Ora , Shoenfeld Yehuda , Amital Howard , Davidson Tima
Published: May 2021

Fever of unknown origin (FUO) poses a diagnostic challenge, and 18-fluorodexoyglucose positron emission tomography with computed tomography (18FDG-PET/CT) may identify the source. We aimed to evaluate the diagnostic yield of 18FDG-PET/CT in the work-up of FUO. The records of patients admitted to Sheba Medical Center between January 2013 and January 2018 who underwent 18FDG-PET/CT for the evaluation of FUO were reviewed. Following examination of available medical test results, 18FDG-PET/CT findings were assessed to determine whether lesions identified proved diagnostic. Of 225 patients who underwent 18FDG-PET/CT for FUO work-up, 128 (57%) met inclusion criteria. Eighty (62.5%) were males; mean age was 59 ± 20.3 (range: 18–93). A final diagnosis was made in 95 (74%) patients. Of the 128 18FDG-PET/CT tests conducted for the workup of FUO, 61 (48%) were true positive, 26 (20%) false positive, 26 (20%) true negative, and 15 (12%) false negative. In a multivariate analysis, weight loss and anemia were independently associated with having a contributary results of 18FDG-PET/CT. The test yielded a sensitivity of 70%, specificity of 37%, positive predictive value of 70%, and negative predictive value of 37%. 18FDG-PET/CT is a valuable tool in the diagnostic workup of FUO. It proved effective in diagnosing almost half the patients, especially in those with anemia and weight loss.
Mistreatment from Multiple Sources: Interaction Effects of Abusive Supervision, Coworker Incivility, and Customer Incivility on Work Outcomes
Authors: Shin Yuhyung , Hur Won-Moo , Kang Seongho
Published: May 2021

Despite the large body of research on workplace mistreatment, surprisingly few studies have examined the interaction effect of multiple interpersonal stressors on employee outcomes. To fill this gap, our research aimed to test the moderating effects of coworker incivility and customer incivility on the relationship between abusive supervision, emotional exhaustion, and job performance. Analyses conducted on 651 South Korean frontline service employees revealed that abusive supervision exerted a significant indirect effect on job performance through emotional exhaustion. Customer incivility strengthened the positive relationship between abusive supervision and emotional exhaustion, as well as the indirect effect of abusive supervision on job performance through emotional exhaustion. Our post hoc analysis demonstrated a three-way interaction between abusive supervision, coworker incivility, and customer incivility; the relationship between abusive supervision and emotional exhaustion was significantly positive only when coworker incivility was high and customer incivility was low. We discuss the implications of our findings for theory and practice.
A Contemporary Issue of Micro-Foundation of CSR, Employee Pro-Environmental Behavior, and Environmental Performance toward Energy Saving, Carbon Emission Reduction, and Recycling
Authors: Yu Hua , Shabbir Muhammad Salman , Ahmad Naveed , Ariza-Montes Antonio , Vega-Muñoz Alejandro , Han Heesup , Scholz Miklas , Sial Muhammad Safdar
Published: May 2021

The contemporary literature has largely addressed corporate social responsibility (CSR) at the macro or institutional level, whereas its effect at the micro-level is largely ignored. In addition, contemporary researchers have also ignored the importance of employee pro-environmental behavior to reduce the environmental footprint of small and medium enterprises (SMEs). With this background, the present study attempts to decrease the environmental footprint of the SME sector of China by implementing CSR at the micro-level through the involvement of employees because employees spend a significant amount of their time at workplaces, and hence their environment-related behavior may significantly contribute to improve the natural environment. In this regard, here we examined the impact of the micro-foundation of CSR on SMEs’ environmental performance with mediating effect of employees’ pro-environmental behavior. The data were collected from the different organizations in China. Our sample constitutes a supervisor–subordinate dyad from which we collected 562 filled questionnaires (281 from each). We used the structural equation modeling technique using AMOS software for data analysis, the results show that CSR, directly and indirectly, through employee’s pro-environmental behavior affects the environmental performance of SMEs, and employee pro-environmental behavior partially mediates this relationship. The findings of the present study are helpful for policymakers of the SME sector of China to address widespread environmental issues caused by their business operations.
Skeletal Class III Malocclusion with Lateral Open Bite and Facial Asymmetry Treated with Asymmetric Lower Molar Extraction and Lingual Appliance: A Case Report
Authors: Ngoc Vo Truong Nhu , Phuong Nguyen Thi Thu , Anh Nguyen Viet
Published: May 2021

A skeletal Class III malocclusion with open bite tendency is considered very difficult to treat orthodontically without surgery. This case report describes the lingual orthodontic treatment of an adult skeletal Class III patient with mandibular deviation to the left side, lateral open bite, unilateral posterior crossbite, zero overbite and negative overjet. The lower incisors were already retroclined to compensate with the skeletal discrepancy. The patient was treated by asymmetric molar extraction in the mandibular arch to retract the lower incisors and correct the dental midline, with the help of intermaxillary elastics. Lingual appliance was used with over-torqued lower anterior teeth’s brackets to control the torque of mandibular incisors. After a 30-month treatment, satisfactory smile and facial esthetics and good occlusion was achieved. A 12-month follow-up confirmed that the outcome was stable. Asymmetric molar extraction could be a viable option to retract mandibular incisors in Class III malocclusion with lower dental midline deviation.
Job Crafting and Work Engagement: The Mediating Role of Work Meaning
Authors: Letona-Ibañez Onintze , Martinez-Rodriguez Silvia , Ortiz-Marques Nuria , Carrasco Maria , Amillano Alejandro
Published: May 2021

One of the most widely researched personal resources is job crafting, for which several studies have confirmed the existence of a positive relationship with engagement. Some authors suggest that it would be necessary to go deeper into the mechanisms that can help us explain this relationship. Therefore, the aim of this study is to ascertain the possible influence of the meaning of work on the relationship between job crafting and engagement. The sample is composed of 814 workers (50.4% women) with an average age of 41.68 years (SD = 9.78). The results were obtained by simple mediation analysis using PROCESS. The meaning of work mediates the relationship between job crafting and engagement, this influence being especially significant in the case of cognitive crafting. This study confirms the positive relationship between job crafting and engagement. However, in the case of some types of job crafting, increased levels of engagement only occur if the individuals also manage to increase the levels of meaning attributed to the work role. Therefore, in order to improve the well-being levels of working people, it would also be necessary to help them understand how these changes help them to attribute more meaning to their work.
Attitude of Physicians towards Periodontal Disease and Diabetes Mellitus Screening in Dental Clinics in Thailand
Authors: Panakhup Manatsara , Lertpanomwan Intouch , Pajonklaew Chayaphat , Arayapisit Tawepong , Yuma Suraphong , Pujarern Patr , Champirat Tharee , Buranachad Naiyana , Fuangtharnthip Pornpoj , Tantipoj Chanita
Published: May 2021

Background: Diabetes mellitus (DM) is one of the top causes of death in many places of the world. Diagnosing DM in the early stage is necessary to avoid severe cases and death. Objectives: To evaluate the knowledge of association between DM and periodontal disease (PD) among Thai physicians and assess their attitudes towards DM screening in dental clinics in Thailand. Methods: Online survey of currently practicing physicians in Thailand was conducted on voluntary basis using the newly developed questionnaire. Result: We received 403 responses that are statistically sufficient to represent the entire population of currently practicing physicians in Thailand. A total of 97.3% of all responses indicate that Thai physicians have knowledge about the association between DM and PD. More than 90% know that DM has an effect on PD; however, 70% know about the effect of untreated PD in DM patients. Most of physicians think that DM screening in dental clinics is important (79.1%) and are ready to accept referred cases for definite DM diagnosis from a dentist (84.1%). The concerned issues among the participants were the accuracy of the test results in DM screening (73%) and ability of a dentist to perform the screening (71.5%). Conclusions: The majority of participating physicians have adequate knowledge about the bidirectional relationship between DM and PD. They have a positive attitude towards DM screening in dental setting. The collaboration between physicians and dental professionals should be established to reduce the number of undiagnosed DM patients and enhance the medical care of DM patients.
Back Problems: Pros and Cons of Core Strengthening Exercises as a Part of Athlete Training
Authors: Zemková Erika , Zapletalová Ludmila
Published: May 2021

While competitive training is usually associated with the prevalence of back pain and injuries in athletes, little attention is being paid to the positive effects of sport-specific exercises on core musculature in the prevention of back problems. This scoping review aims (i) to map the literature that addresses the effects on reduction of back problems following athlete training with differing demands on the core musculature and (ii) to identify gaps in the existing literature and propose future research on this topic. The main literature search was conducted on the MEDLINE, PubMed, Web of Science, Scopus, and Cochrane Library databases and was completed on Elsevier, SpringerLink, and Google Scholar. A total of 21 research articles met the inclusion criteria. The findings of 17 studies identified that core strengthening and core stabilization exercises, alone or in combination with athlete training, contribute to the reduction of back pain in athletes, whereas only four studies revealed no significant association of core muscle strength and/or endurance with back problems. Nevertheless, more research is warranted to elucidate the pros and cons of purely sport-specific training with differing demands on the core musculature on back health in athletes. This could help us to design prevention strategies specifically tailored to individual athletes.
Transient Excursions to Membrane Core as Determinants of Influenza Virus Fusion Peptide Activity
Authors: Worch Remigiusz , Dudek Anita , Borkowska Paulina , Setny Piotr
Published: May 2021

Fusion of viral and host cell membranes is a critical step in the life cycle of enveloped viruses. In the case of influenza virus, it is mediated by subunit 2 of hemagglutinin (HA) glycoprotein whose N-terminal fragments insert into the target membrane and initiate lipid exchange. These isolated fragments, known as fusion peptides (HAfp), already possess own fusogenic activity towards liposomes. Although they have long been studied with the hope to uncover the details of HA-mediated fusion, their actual mechanism of action remains elusive. Here, we use extensive molecular dynamics simulations combined with experimental studies of three HAfp variants to fully characterize their free energy landscape and interaction with lipid bilayer. In addition to customary assumed peptides localization at lipid–water interface, we characterize membrane-spanning configurations, which turn out to be metastable for active HAfps and unstable for the fusion inactive W14A mutant. We show that, while the degree of membrane perturbation by surface peptide configurations is relatively low and does not show any mutation-related differences, the effect of deeply inserted configurations is significant and correlates with insertion depth of the N-terminal amino group which is the highest for the wild type HAfp. Finally, we demonstrate the feasibility of spontaneous peptide transition to intramembrane location and the critical role of strictly conserved tryptofan residue 14 in this process.
Mechanisms of Beta-Cell Apoptosis in Type 2 Diabetes-Prone Situations and Potential Protection by GLP-1-Based Therapies
Authors: Costes Safia , Bertrand Gyslaine , Ravier Magalie A.
Published: May 2021

Type 2 diabetes (T2D) is characterized by chronic hyperglycemia secondary to the decline of functional beta-cells and is usually accompanied by a reduced sensitivity to insulin. Whereas altered beta-cell function plays a key role in T2D onset, a decreased beta-cell mass was also reported to contribute to the pathophysiology of this metabolic disease. The decreased beta-cell mass in T2D is, at least in part, attributed to beta-cell apoptosis that is triggered by diabetogenic situations such as amyloid deposits, lipotoxicity and glucotoxicity. In this review, we discussed the molecular mechanisms involved in pancreatic beta-cell apoptosis under such diabetes-prone situations. Finally, we considered the molecular signaling pathways recruited by glucagon-like peptide-1-based therapies to potentially protect beta-cells from death under diabetogenic situations.
Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics
Authors: Parate Shraddha , Kumar Vikas , Danishuddin  , Hong Jong , Lee Keun
Published: May 2021

Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.
Rapidly Growing Protein-Centric Technologies to Extensively Identify Protein–RNA Interactions: Application to the Analysis of Co-Transcriptional RNA Processing
Authors: Masuda Akio , Kawachi Toshihiko , Ohno Kinji
Published: May 2021

During mRNA transcription, diverse RNA-binding proteins (RBPs) are recruited to RNA polymerase II (RNAP II) transcription machinery. These RBPs bind to distinct sites of nascent RNA to co-transcriptionally operate mRNA processing. Recent studies have revealed a close relationship between transcription and co-transcriptional RNA processing, where one affects the other’s activity, indicating an essential role of protein–RNA interactions for the fine-tuning of mRNA production. Owing to their limited amount in cells, the detection of protein–RNA interactions specifically assembled on the transcribing RNAP II machinery still remains challenging. Currently, cross-linking and immunoprecipitation (CLIP) has become a standard method to detect in vivo protein–RNA interactions, although it requires a large amount of input materials. Several improved methods, such as infrared-CLIP (irCLIP), enhanced CLIP (eCLIP), and target RNA immunoprecipitation (tRIP), have shown remarkable enhancements in the detection efficiency. Furthermore, the utilization of an RNA editing mechanism or proximity labeling strategy has achieved the detection of faint protein–RNA interactions in cells without depending on crosslinking. This review aims to explore various methods being developed to detect endogenous protein–RNA interaction sites and discusses how they may be applied to the analysis of co-transcriptional RNA processing.
EMS Derived Wheat Mutant BIG8-1 (Triticum aestivum L.)—A New Drought Tolerant Mutant Wheat Line
Authors: le Roux Marlon-Schylor L. , Burger Nicolas Francois V. , Vlok Maré , Kunert Karl J. , Cullis Christopher A. , Botha Anna-Maria
Published: May 2021

Drought response in wheat is considered a highly complex process, since it is a multigenic trait; nevertheless, breeding programs are continuously searching for new wheat varieties with characteristics for drought tolerance. In a previous study, we demonstrated the effectiveness of a mutant known as RYNO3936 that could survive 14 days without water. In this study, we reveal another mutant known as BIG8-1 that can endure severe water deficit stress (21 days without water) with superior drought response characteristics. Phenotypically, the mutant plants had broader leaves, including a densely packed fibrous root architecture that was not visible in the WT parent plants. During mild (day 7) drought stress, the mutant could maintain its relative water content, chlorophyll content, maximum quantum yield of PSII (Fv/Fm) and stomatal conductance, with no phenotypic symptoms such as wilting or senescence despite a decrease in soil moisture content. It was only during moderate (day 14) and severe (day 21) water deficit stress that a decline in those variables was evident. Furthermore, the mutant plants also displayed a unique preservation of metabolic activity, which was confirmed by assessing the accumulation of free amino acids and increase of antioxidative enzymes (peroxidases and glutathione S-transferase). Proteome reshuffling was also observed, allowing slow degradation of essential proteins such as RuBisCO during water deficit stress. The LC-MS/MS data revealed a high abundance of proteins involved in energy and photosynthesis under well-watered conditions, particularly Serpin-Z2A and Z2B, SGT1 and Calnexin-like protein. However, after 21 days of water stress, the mutants expressed ABC transporter permeases and xylanase inhibitor protein, which are involved in the transport of amino acids and protecting cells, respectively. This study characterizes a new mutant BIG8-1 with drought-tolerant characteristics suited for breeding programs.
Trissolcus kozlovi in North Italy: Host Specificity and Augmentative Releases against Halyomorpha halys in Hazelnut Orchards
Authors: Moraglio Silvia Teresa , Tortorici Francesco , Visentin Sara , Pansa Marco Giuseppe , Tavella Luciana
Published: May 2021

Trissolcus kozlovi (Hymenoptera: Scelionidae) emerged from field-laid eggs of Halyomorpha halys (Hemiptera: Pentatomidae) in North Italy, and it emerged in significantly higher numbers from fresh H. halys eggs compared to other native scelionids. Since few data on T. kozlovi are available, its host-specificity and some biological traits were investigated in laboratory tests, and its impact after augmentative releases was evaluated in two hazelnut orchards. Among the 12 tested bug species (Hemiptera: Pentatomidae, Scutelleridae), only Nezara viridula was an unsuitable host, while the highest offspring proportions were obtained from Arma custos, Pentatoma rufipes, and Peribalus strictus, followed by Acrosternum heegeri and Palomena prasina. Furthermore, when reared on P. strictus, T. kozlovi showed a high longevity as well as a high adaptation to H. halys eggs. In both hazelnut orchards, T. kozlovi emerged from H. halys eggs after field releases, but it was not found in the next two years. The physiological host range of T. kozlovi was quite similar to that of T. japonicus, and probably T. kozlovi has just begun to attack H. halys as a new host. This aspect needs to be further investigated, as well as its favorable environmental conditions, its distribution and also its possible interaction with T. japonicus, currently present in Italy.
Utilizing Red Spotted Apollo Butterfly Transcriptome to Identify Antimicrobial Peptide Candidates against Porphyromonas gingivalis
Authors: Lee Kang-Woon , Kim Jae-Goo , Veerappan Karpagam , Chung Hoyong , Natarajan Sathishkumar , Kim Ki-Young , Park Junhyung
Published: May 2021

Classical antibiotics are the foremost treatment strategy against microbial infections. Overuse of this has led to the evolution of antimicrobial resistance. Antimicrobial peptides (AMPs) are natural defense elements present across many species including humans, insects, bacteria, and plants. Insect AMPs are our area of interest, because of their stronger abilities in host defense. We have deciphered AMPs from an endangered species Parnassius bremeri, commonly known as the red spotted apollo butterfly. It belongs to the second largest insect order Lepidoptera, comprised of butterflies and moths, and lives in the high altitudes of Russia, China, and Korea. We aimed at identifying the AMPs from the larvae stages. The rationale of choosing this stage is that the P. bremeri larvae development occurs at extremely low temperature conditions, which might serve as external stimuli for AMP production. RNA was isolated from larvae (L1 to L5) instar stages and subjected to next generation sequencing. The transcriptomes obtained were curated in in-silico pipelines. The peptides obtained were screened for requisite AMP physicochemical properties and in vitro antimicrobial activity. With the sequential screening and validation, we obtained fifteen candidate AMPs. One peptide TPS–032 showed promising antimicrobial activity against Porphyromonas gingivalis, a primary causative organism of periodontitis.
Secure Path: Block-Chaining IoT Information for Continuous Authentication in Smart Spaces
Authors: Bracciale Lorenzo , Loreti Pierpaolo , Pisa Claudio , Shahidi Alex
Published: May 2021

The Internet of Things offers a wide range of possibilities that can be exploited more or less explicitly for user authentication, ranging from specifically designed systems including biometric devices to environmental sensors that can be opportunistically used to feed behavioural authentication systems. How to integrate all this information in a reliable way to get a continuous authentication service presents several open challenges. Among these: how to combine semi-trusted information coming from non-tamper-proof sensors, where to store such data avoiding a single point of failure, how to analyse data in a distributed way, which interface to use to provide an authentication service to a multitude of different services and applications. In this paper, we present a Blockchain-based architectural solution of a distributed system able to transform IoT interactions into useful data for an authentication system. The design includes: (i) a security procedure to certify users’ positions and identities, (ii) a secure storage to hold this information, and (iii) a service to dynamically assign a trust level to a user’s position. We call this system “Secure Path”.
Evaluation of Drug—Drug Interactions in EGFR-Mutated Non-Small-Cell Lung Cancer Patients during Treatment with Tyrosine-Kinase Inhibitors
Authors: Occhipinti Mario , Brambilla Marta , Galli Giulia , Manglaviti Sara , Giammaruco Maristella , Prelaj Arsela , Ferrara Roberto , De Toma Alessandro , Proto Claudia , Beninato Teresa , Zattarin Emma , Lo Russo Giuseppe , Gelibter Alain Jonathan , Simmaco Maurizio , Preissner Robert , Garassino Marina Chiara , De Braud Filippo , Marchetti Paolo
Published: May 2021

(1) Background. The onset of a drug–drug interaction (DDI) may affect treatment efficacy and toxicity of advanced non-small-cell lung cancer (aNSCLC) patients during epidermal growth factor receptor (EGFR) tyrosine-kinase inhibitor (TKI) use. Here we present the use of Drug-PIN® (Personalized Interactions Network) software to detect DDIs in aNSCLC patients undergoing EGFR-TKIs. (2) Methods. We enrolled patients with Stage IV aNSCLC already treated with or candidates to receive EGFR-TKIs, in any line; ECOG PS 0–2; taking at least one concomitant drug. Cancer treatments, concomitant drugs, and clinical and laboratory data were collected and inserted in Drug-PIN®. (3) Results. Ninety-two patients, median age of 68.5 years (range 43–89), were included. In total, 20 clinically relevant DDIs needing medical intervention in a total of 14 patients were identified; the 14 major DDIs were related to a high-grade interaction between TKIs and SSRIs, antipsychotics, antiepileptics, H2-receptor antagonist and calcium antagonists. A negative association between statin intake and PFS was identified (p = 0.02; HR 0.281, 95% CI 0.096–0.825). (4) Conclusions. This is the first retrospective study assessing the prevalence of DDIs, the clinical need for medical intervention and the impact of concomitant drugs on EGFR-TKIs survival in aNSCLC.
A Mixed Numerical-Experimental Method to Characterize Metal-Polymer Interfaces for Crash Applications
Authors: Richter Jonas , Kuhtz Moritz , Hornig Andreas , Harhash Mohamed , Palkowski Heinz , Gude Maik
Published: May 2021

Metallic (M) and polymer (P) materials as layered hybrid metal-polymer-metal (MPM) sandwiches offer a wide range of applications by combining the advantages of both material classes. The interfaces between the materials have a considerable impact on the resulting mechanical properties of the composite and its structural performance. Besides the fact that the experimental methods to determine the properties of the single constituents are well established, the characterization of interface failure behavior between dissimilar materials is very challenging. In this study, a mixed numerical–experimental approach for the determination of the mode I energy release rate is investigated. Using the example of an interface between a steel (St) and a thermoplastic polyolefin (PP/PE), the process of specimen development, experimental parameter determination, and numerical calibration is presented. A modified design of the Double Cantilever Beam (DCB) is utilized to characterize the interlaminar properties and a tailored experimental setup is presented. For this, an inverse calibration method is used by employing numerical studies using cohesive elements and the explicit solver of LS-DYNA based on the force-displacement and crack propagation results.
Fabrication of All-GaN Integrated MIS-HEMTs with High Threshold Voltage Stability Using Supercritical Technology
Authors: Liu Meihua , Yang Yang , Chang Changkuan , Li Lei , Jin Yufeng
Published: May 2021

In this paper, a novel method to achieve all-GaN integrated MIS-HEMTs in a Si-CMOS platform by self-terminated and self-alignment process is reported. Furthermore, a process of repairing interface defects by supercritical technology is proposed to suppress the threshold voltage shift of all GaN integrated MIS-HEMTs. The threshold voltage characteristics of all-GaN integrated MIS-HEMTs are simulated and analyzed. We found that supercritical NH3 fluid has the characteristics of both liquid NH3 and gaseous NH3 simultaneously, i.e., high penetration and high solubility, which penetrate the packaging of MIS-HEMTs. In addition, NH2− produced via the auto coupling ionization of NH3 has strong nucleophilic ability, and is able to fill nitrogen vacancies near the GaN surface created by high temperature process. The fabricated device delivers a threshold voltage of 2.67 V. After supercritical fluid treatment, the threshold voltage shift is reduced from 0.67 V to 0.13 V. Our demonstration of the supercritical technology to repair defects of wide-bandgap family of semiconductors may bring about great changes in the field of device fabrication.
Influence of the Medium Composition and the Culture Conditions on Surfactin Biosynthesis by a Native Bacillus subtilis natto BS19 Strain
Authors: Koim-Puchowska Beata , Kłosowski Grzegorz , Dróżdż-Afelt Joanna Maria , Mikulski Dawid , Zielińska Alicja
Published: May 2021

An effective microbial synthesis of surfactin depends on the composition of the culture medium, the culture conditions and the genetic potential of the producer strain. The aim of this study was to evaluate the suitability of various medium components for the surfactin producing strain and to determine the impact of the culture conditions on the biosynthesis of surfactin isoforms by the newly isolated native strain Bacillus subtilis natto BS19. The efficiency of surfactin biosynthesis was determined by measuring the surface tension of the medium before and after submerged culture (SmF) and by qualitative and quantitative analysis of the obtained compound by high performance liquid chromatography. The highest efficiency of surfactin biosynthesis was achieved using starch as the carbon source and yeast extract as the nitrogen source at pH 7.0 and 37 °C. Potato peelings were selected as an effective waste substrate. It was shown that the increase in the percentage of peel extract in the culture medium enhanced the biosynthesis of surfactin (mg/L) (2–30.9%; 4–46.0% and 6–58.2%), while reducing surface tension of the medium by about 50%. The obtained results constitute a promising basis for further research on biosynthesis of surfactin using potato peelings as a cheap alternative to synthetic medium components.
Calculation Methods of Solution Chemical Potential and Application in Emulsion Microencapsulation
Authors: Xu Binkai , Liu Xiangdong , Zhou Bo
Published: May 2021

Several new biased sampling methods were summarized for solution chemical potential calculation methods in the field of emulsion microencapsulation. The principles, features, and calculation efficiencies of various biased Widom insertion sampling methods were introduced, including volume detection bias, simulation ensemble bias, and particle insertion bias. The proper matches between various types of solution in emulsion and biased Widom methods were suggested, following detailed analyses on the biased insertion techniques. The volume detection bias methods effectively improved the accuracy of the data and the calculation efficiency by inserting detection particles and were suggested to be used for the calculation of solvent chemical potential for the homogeneous aqueous phase of the emulsion. The chemical potential of water, argon, and fluorobenzene (a typical solvent of the oil phase in double emulsion) was calculated by a new, optimized volume detection bias proposed by this work. The recently developed Well-Tempered(WT)-Metadynamics method skillfully constructed low-density regions for particle insertion and dynamically adjusted the system configuration according to the potential energy around the detection point, and hence, could be used for the oil-polymer mixtures of microencapsulation emulsion. For the macromolecule solutes in the oil or aqueous phase of the emulsion, the particle insertion bias could be applied to greatly increase the success rate of Widom insertions. Readers were expected to choose appropriate biased Widom methods to carry out their calculations on chemical potential, fugacity, and solubility of solutions based on the system molecular properties, inspired by this paper.
Synthesis, Anticancer Screening of Some Novel Trimethoxy Quinazolines and VEGFR2, EGFR Tyrosine Kinase Inhibitors Assay; Molecular Docking Studies
Authors: Altamimi Abdulmalik S. , El-Azab Adel S. , Abdelhamid Sami G. , Alamri Mubarak A. , Bayoumi Ashraf H. , Alqahtani Safar M. , Alabbas Alhumaidi B. , Altharawi Ali I. , Alossaimi Manal A. , Mohamed Menshawy A.
Published: May 2021

A new series of 8-methoxy-2-trimethoxyphenyl-3-substituted quinazoline-4(3)-one compounds were designed, synthesized, and screened for antitumor activity against three cell lines, namely, Hela, A549, and MDA compared to docetaxel as reference drug. The molecular docking was performed using Autodock Vina program and 20 ns molecular dynamics (MD) simulation was performed using GROMACS 2018.1 software. Compound 6 was the most potent antitumor of the new synthesized compounds and was evaluated as a VEGFR2 and EGFR inhibitor with (IC50, 98.1 and 106 nM respectively) compared to docetaxel (IC50, 89.3 and 56.1 nM respectively). Compounds 2, 6, 10, and 8 showed strong cytotoxic activities against the Hela cell line with IC50 of, 2.13, 2.8, 3.98, and 4.94 µM, respectively, relative to docetaxel (IC50, 9.65 µM). Compound 11 showed strong cytotoxic activity against A549 cell line (IC50, 4.03 µM) relative to docetaxel (IC50, 10.8 µM). Whereas compounds 6 and 9 showed strong cytotoxic activity against MDA cell line (IC50, 0.79, 3.42 µM, respectively) as compared to docetaxel (IC50, 3.98 µM).