bluuebunny/crossref_metadata_2025 huggingface dataset:
Genome-Wide Identification and Expression Analyses of the Chitinase Gene Family in Response to White Mold and Drought Stress in Soybean (Glycine max)
Authors: Lv Peiyun , Zhang Chunting , Xie Ping , Yang Xinyu , El-Sheikh Mohamed A. , Hefft Daniel Ingo , Ahmad Parvaiz , Zhao Tuanjie , Bhat Javaid Akhter
Published: August 2022

Chitinases are enzymes catalyzing the hydrolysis of chitin that are present on the cell wall of fungal pathogens. Here, we identified and characterized the chitinase gene family in cultivated soybean (Glycine max L.) across the whole genome. A total of 38 chitinase genes were identified in the whole genome of soybean. Phylogenetic analysis of these chitinases classified them into five separate clusters, I–V. From a broader view, the I–V classes of chitinases are basically divided into two mega-groups (X and Y), and these two big groups have evolved independently. In addition, the chitinases were unevenly and randomly distributed in 17 of the total 20 chromosomes of soybean, and the majority of these chitinase genes contained few introns (≤2). Synteny and duplication analysis showed the major role of tandem duplication in the expansion of the chitinase gene family in soybean. Promoter analysis identified multiple cis-regulatory elements involved in the biotic and abiotic stress response in the upstream regions (1.5 kb) of chitinase genes. Furthermore, qRT-PCR analysis showed that pathogenic and drought stress treatment significantly induces the up-regulation of chitinase genes belonging to specific classes at different time intervals, which further verifies their function in the plant stress response. Hence, both in silico and qRT-PCR analysis revealed the important role of the chitinases in multiple plant defense responses. However, there is a need for extensive research efforts to elucidate the detailed function of chitinase in various plant stresses. In conclusion, our investigation is a detailed and systematic report of whole genome characterization of the chitinase family in soybean.
Cryoneurolysis Is a Safe, Effective Modality to Improve Rehabilitation after Total Knee Arthroplasty
Authors: Lung Brandon E. , Karasavvidis Theofilos , Sharma Abhinav K. , Amirhekmat Arya , Stepanyan Hayk , McMaster William , Yang Steven , So David H.
Published: August 2022

Although long term pain and mobility outcomes in total knee arthroplasties (TKA) are successful, many patients experience significant amount of debilitating pain during the immediate post-operative period that necessitates narcotic use. Percutaneous cryoneurolysis to the infrapatellar saphenous and anterior femoral cutaneous nerves may help to better restore function and rehabilitation after surgery while limiting narcotic consumption. A retrospective chart review of primary TKA patients receiving pre-operative cryoneurolysis from 2019 to 2020 was performed to assess total opioid morphine milligram equivalents (MME) consumed inpatient and at interval follow-up. Demographics and medical comorbidities were compared between cryoneurolysis and age-matched control patients to assess baseline characteristics. Functional rehabilitation outcomes, including knee range of motion (ROM), ambulation distance, and Boston AM-PAC scores, as well as patient reported outcomes using the KOOS JR and SF-12 scores were analyzed using STATA 17 Software. The analysis included 29 cryoneurolysis and 28 age-matched control TKA patients. Baseline demographics and operative technique were not significant between groups. Although not statistically significant, cryoneurolysis patients had a shorter length of stay (2.5 vs. 3.5 days) and overall less inpatient and outpatient MME requirements. Cryoneurolysis patients had statistically significant improved 6-week ROM and 1-year follow-up KOOS JR and SF-12 mental scores compared to the control. There were no differences in complication rates. Cryoneurolysis is a safe, effective treatment modality to improve active functional recovery and patient satisfaction after TKA by reducing MME requirements. Patients who underwent cryoneurolysis had on average fewer MME prescribed during the perioperative period, improved active ROM, and improved patient-reported outcomes with no associated increased risk of infections, deep vein thrombosis, or neurologic complications.
Different Phenotypes in Monozygotic Twins, Carriers of the Same Pathogenic Variant for Hypertrophic Cardiomyopathy
Authors: Rodríguez Junquera Manuel , Salgado María , González-Urbistondo Francisco , Alén Alberto , Rodríguez-Reguero José Julián , Silva Iria , Coto Eliecer , Avanzas Pablo , Morís César , Gómez Juan , Lorca Rebeca
Published: August 2022

Hypertrophic cardiomyopathy (HCM) is a monogenic disease with autosomal dominant inheritance. Genotype–phenotype relationships are complex, with variable penetrance even within the same family. The involvement of other modulating genetic and environmental factors is unknown. We aimed to analyze the HCM in monozygotic twins, carriers of the same founder pathogenic variant MYBPC3 p.G263*. The relationship was verified using the PowerPlex 16 HS System kit. Phenotypic differences and environmental differences (overloading conditions, coexistence and location, lifestyle, sport, and intensity) were analyzed. Three pairs of twins genetically identical for all markers and carriers of MYBPC3 G263* were identified. No environmental differences were identified. One of the 89-year-old twins had symptomatic severe obstructive HCM that required septal ablation, while her twin has remained asymptomatic with mild phenotype >80 years. A 49-year-old twin had a severe phenotype of obstructive HCM and pending myectomy, while his twin had a mild asymptomatic phenotype. In the last pair of twins, one presented a much larger left ventricular hypertrophy than his identical twin. In summary, we present three pairs of HCM twin patients sharing not only the genetic cause of the inherited disease but the entire genetic background. Despite identical genetic information and the absence of other known clinical, environmental, or lifestyle differences, the severity of the HCM phenotype is strikingly different. These unexplained differences should prompt the study of other unknown modulating factors, either epigenetic or environmental.
Upregulation of Spinal miR-155-5p Contributes to Mechanical Hyperalgesia by Promoting Inflammatory Activation of Microglia in Bone Cancer Pain Rats
Authors: Jian Yanping , Song Zongbin , Ding Zhuofeng , Wang Jian , Wang Ruike , Hou Xinran
Published: August 2022

Bone cancer pain (BCP) seriously deteriorates the life quality of patients, but its underlying mechanism is still unclear. Spinal microRNAs might contribute to the development of BCP and the role of microglial activation is controversial. In this study, we established a BCP model by injecting Walker 256 breast carcinoma cells into the tibial intramedullary cavity of rats and significant hyperalgesia was observed in the BCP rats. The lumbar spinal cords were harvested to perform RNA sequencing (RNA-seq), and 31 differentially expressed miRNAs (26 upregulated and 5 downregulated) were identified in the BCP rats. Among them, miR-155-5p was significantly upregulated in the BCP rats. Spinal microglial activation was observed during BCP development. miR-155-5p could be expressed in spinal microglia and was significantly upregulated in microglia treated with lipopolysaccharide (LPS) in vitro. Serum/glucocorticoid regulated kinase family member 3 (Sgk3) was predicted to be the possible downstream target of miR-155-5p and this was confirmed using a dual-luciferase reporter assay in vitro. The inhibition of miR-155-5p restored Sgk3-expression-attenuated microglial activation and alleviated hyperalgesia in the BCP rats. In conclusion, spinal miR-155-5p/Sgk3/microglial activation might play an important role in BCP pathogenesis.
Exogenous 3-Iodothyronamine (T1AM) Can Affect Phosphorylation of Proteins Involved on Signal Transduction Pathways in In Vitro Models of Brain Cell Lines, but These Effects Are Not Strengthened by Its Catabolite, 3-Iodothyroacetic Acid (TA1)
Authors: Bandini Lavinia , Sacripanti Ginevra , Borsò Marco , Tartaria Maria , Fogliaro Maria Pia , Giannini Giulia , Carnicelli Vittoria , Figuccia Matteo Emanuele , Verlotta Sara , De Antoni Fiammetta , Zucchi Riccardo , Ghelardoni Sandra
Published: August 2022

T1AM, a derivative of thyroid hormones, and its major catabolite, TA1, produce effects on memory acquisition in rodents. In the present study, we compared the effects of exogenous T1AM and TA1 on protein belonging to signal transduction pathways, assuming that TA1 may strengthen T1AM’s effects in brain tissue. A hybrid line of cancer cells of mouse neuroblastoma and rat glioma (NG 108-15), as well as a human glioblastoma cell line (U-87 MG) were used. We first characterized the in vitro model by analyzing gene expression of proteins involved in the glutamatergic cascade and cellular uptake of T1AM and TA1. Then, cell viability, glucose consumption, and protein expression were assessed. Both cell lines expressed receptors implicated in glutamatergic pathway, namely Nmdar1, Glur2, and EphB2, but only U-87 MG cells expressed TAAR1. At pharmacological concentrations, T1AM was taken up and catabolized to TA1 and resulted in more cytotoxicity compared to TA1. The major effect, highlighted in both cell lines, albeit on different proteins involved in the glutamatergic signaling, was an increase in phosphorylation, exerted by T1AM but not reproduced by TA1. These findings indicate that, in our in vitro models, T1AM can affect proteins involved in the glutamatergic and other signaling pathways, but these effects are not strengthened by TA1.
The Influence of Bearing Ring Inclination on Precision Ball Bearing Contact and Heat Generation Performance
Authors: Yan Bei , Zhang Xiaohong , Zhu Zanfei
Published: August 2022

The assembly quality between bearing components will lead to an increase in the load imbalance of each rolling element, which becomes a factor that affects the heat generation of precision bearings. The motion and heat generation of angular contact ball bearing (ACBB) under different assembly states were studied, and the quasi-static model of ACBB with outer ring tilting was established. The contact angle, contact load and motion posture of rolling elements were obtained. Then, the relative imbalance of the outer ring was experimentally simulated based on the outer spacer ring with poor end-parallelism, and the thermal characteristics of the spindle system were monitored. Through theoretical and experimental comparison, the influence of different skew degrees of rings on bearing heat generation and spindle rotation accuracy was discussed.
Comparative Analysis of the Work of Bridge Spherical Bearing at Different Antifriction Layer Locations
Authors: Adamov Anatoliy A. , Kamenskikh Anna A. , Pankova Anastasia P. , Strukova Veronika I.
Published: August 2022

The novel results reported here present qualitative and quantitative regularities of the deformation behavior of a spherical bearing with a different location and inclination angle of the antifriction layer. A number of topical problems encountered during the assessment of the performance bearings are considered in the work. The spherical bearings of the bridge span are investigated. Structures are load-bearing elements of transport systems. They perceive thermal power loads from the bridge span. The temperature problem is not considered in this study. In this paper, a comparative analysis of the bridge spherical bearing operation at different antifriction layer locations was performed. Two bearing geometries are considered: the interlayer is pressed in a spherical segment (classical geometry); the interlayer is pressed into a recess located in the lower steel plate. The six modern antifriction materials considered proved suitable to some extent as contact unit sliding layers for various purposes. Additionally, the influence of the inclination angle of the antifriction layer end face on the structure operation for all sliding layer material variants was analyzed. It has been established that the bearing design with an interlayer in the lower steel plate has a more favorable deformation behavior. Changing of the inclination angle of the antifriction layer end face leads to a decrease in the maximum level of contact parameters and deformation characteristics for all the considered structures.
Experimental Investigation on Synergetic Effects of Micro Grooves and WSe2 in Sliding Contact
Authors: Wei Yuan , Li Shuang , Huang He , Ding Chongliang , Wang Xuewen
Published: August 2022

Improving tribological behaviors for dry contacts has always been a hot study topic, since liquid lubricants are not applicable for certain vital scenarios, including space travel equipment. This study describes the synergetic effects of micro groove texture and WSe2 flakes as solid lubricants on friction reduction in dry sliding contact. The reciprocating sliding tests were performed under the dry and WSe2 flake-filled conditions while varying the texture geometric feathers and WSe2 flake sizes. According to the experimental results, the coefficient of friction (CoF) could be reduced by 80% due to the combination of micro grooves and WSe2 flakes compared to the non-textured cases. The optimal width (b = 130 µm) of the groove was identified under both dry and WSe2 flake-filled conditions. The SEM observation suggested that the WSe2 flakes have different sizes. The influence of the WSe2 granularity on reducing friction was discussed based on the results. This study provides a novel solution for reducing friction, which suggests that there is a synergetic effect and optimal parameters for friction reduction with micro grooves and WSe2 flakes.
Influence of the Co-Adsorbed Ions on the Surface-Enhanced Raman Scattering Spectra of Dopamine Adsorbed on Nanostructured Silver
Authors: Michałowska Aleksandra , Jędrzejewski Kacper , Kudelski Andrzej
Published: August 2022

The abnormal metabolism or imbalance of dopamine may lead to some neurological disorders. Therefore, the facile and fast detection of this neurotransmitter is essential in the early diagnosis of some diseases. One of the methods that can be used for the detection and determination of dopamine is the surface-enhanced Raman scattering (SERS). In this contribution, we report a very strong influence of some salts (we used salts containing Na+ cations and the following anions: SO42−, F−, Cl−, Br−, and I−) on the spectral patterns and intensity of the SERS spectra of dopamine adsorbed on a nanostructured macroscopic silver substrate. The analysis of the recorded SERS spectra based on the assignments of Raman bands from the density-functional theory (DFT) calculations and based on the SERS surface selection rules reveals that when molecules of dopamine are adsorbed from an aqueous solution to which no electrolytes have been added, they adopt a flat orientation versus the silver surface; whereas, the molecules of dopamine co-adsorbed with various ions interact with the silver surface, mainly via phenolic groups, and they adopt a perpendicular orientation versus the metal surface. An addition of electrolytes also significantly influences the intensity of the recorded SERS spectrum; for example, an addition of Na2SO4 to a final concentration of 1 M induces an increase in the intensity of the measured SERS spectrum by a factor of ca. 40. This means that the addition of electrolytes to the analyzed solution can reduce the limit of detection of dopamine by SERS spectroscopy. The abovementioned findings may facilitate the construction of dopamine SERS sensors.
Effect of Hot Rolling on the Microstructure and Mechanical Performance of a Mg-5Sn Alloy
Authors: Zhuo Xiaoru , Shao Cong , Zhang Peng , Hu Zhichao , Liu Huan
Published: August 2022

A Mg-5Sn alloy was hot rolled at 380 °C with three different rolling reductions (30%, 50%, and 70%), and its effect on the microstructure and mechanical performance was examined. Grain size decreases, whereas the area fraction of Mg2Sn particles and dislocation density increase with the increase in rolling reduction. Therefore, the yield strength (YS) and ultimate tensile strength (UTS) exhibit an ascending trend, whereas the elongation (EL) shows a descending trend with increasing rolling reduction. The alloy hot rolled for 70% possesses a high strength of 310 MPa and an EL of 8.4%. The strength enhancement is mainly ascribed to precipitation strengthening, grain refinement strengthening, and dislocation strengthening.
Flame Retardancy and Thermal Property of Environment-Friendly Poly(lactic acid) Composites Based on Banana Peel Powder
Authors: Kong Fanbei , Nie Baisheng , Han Chao , Zhao Dan , Hou Yanan , Xu Yuxuan
Published: August 2022

Banana peel powder (BPP) was used to prepare poly(lactic acid) (PLA) bio-based composites and the flame retardancy was enhanced by introducing silica-gel microencapsulated ammonium polyphosphate (MCAPP). The results showed that the limiting oxygen index (LOI) of PLA containing 15 wt % BPP was 22.1% and just passed the UL-94 V-2 rate. Moreover, with the introduction of 5 wt % MCAPP and 15 wt % BPP, the PLA composite had a higher LOI value of 31.5%, and reached the UL-94 V-0 rating, with self-extinguishing and anti-dripping abilities. The PLA/M5B15 also had a lower peak heat release rate (296.7 kW·m−2), which was 16% lower than that of the PLA/B15 composite. Furthermore, the synergistic effects between MCAPP and BPP impart better thermal stability to PLA composites. According to the investigation of the char residue and pyrolysis gaseous products, MCAPP with BPP addition is beneficial to the formation of a higher quality char layer in the solid phase but also plays the flame retardant effect in the gas phase. This work provides a simple and efficient method to solve the high cost and flammability issues of PLA composites.
Tailoring Titanium Sheet Metal Using Laser Metal Deposition to Improve Room Temperature Single-Point Incremental Forming
Authors: McPhillimy Michael , Yakushina Evgenia , Blackwell Paul
Published: August 2022

Typically, due to their limited formability, elevated temperatures are required in order to achieve complex shapes in titanium alloys. However, there are opportunities for forming such alloys at room temperature using incremental forming processes such as single-point incremental forming (SPIF). SPIF is an innovative metal forming technology which uses a single tool to form sheet parts in place of dedicated dies. SPIFs ability to increase the forming limits of difficult-to-form materials offers an alternative to high temperature processing of titanium. However, sheet thinning during SPIF may encourage the early onset of fracture, compromising in-service performance. An additive step prior to SPIF has been examined to tailor the initial sheet thickness to achieve a homogeneous thickness distribution in the final part. In the present research, laser metal deposition (LMD) was used to locally thicken a commercially pure titanium grade 2 (CP-Ti50A) sheet. Tensile testing was used to examine the mechanical behaviour of the tailored material. In addition, in-situ digital image correlation was used to measure the strain distribution across the surface of the tailored material. The work found that following deposition, isotropic mechanical properties were obtained within the sheet plane in contrast to the anisotropic properties of the as-received material and build height appeared to have little influence on strength. Microstructural analysis showed a change to the material in response to the LMD added thickness, with a heat affected zone (HAZ) at the interface between the added LMD layer and non-transformed substrate material. Grain growth and intragranular misorientation in the added LMD material was observed. SPIF of a LMD tailored preform resulted in improved thickness homogeneity across the formed part, with the downside of early fracture in a high wall angle section of the sheet.
Correction: Condorelli et al. Nano-Hybrid Au@LCCs Systems Displaying Anti-Inflammatory Activity. Materials 2022, 15, 3701
Authors: Condorelli Marcello , Speciale Antonio , Cimino Francesco , Muscarà Claudia , Fazio Enza , D’Urso Luisa , Corsaro Carmelo , Neri Giulia , Mezzasalma Angela Maria , Compagnini Giuseppe , Neri Fortunato , Saija Antonina
Published: August 2022

The authors wish to make the following correction to the published paper [...]
Detection of Microstructural Changes in Metastable AISI 347, HSS Z-M4 and Tool Steel Ferrotitanit WFN by Mechanical Loss Coefficient at Ultrasonic Frequencies
Authors: Liesegang Moritz , Daniel Tobias , Jäckels Benedikt , Smaga Marek , Beck Tilmann
Published: August 2022

Ultrasonic processes such as ultrasonic welding or ultrasonic fatigue testing use power ultrasound to stimulate materials with amplitudes in the range of 1–100 µm. The ultrasonic welding process is sensitive to any changes in the system or even the environment that may result in lower joint quality. The welding tools, so called sonotrodes, have to be accurately designed to endure high mechanical and thermal loads while inducing a sufficient amount of welding energy into the joining zone by oscillation with the Eigenfrequency of the whole system. Such sonotrodes are often made of thermally treated metals where the heat treatment is accompanied by microstructural changes. During ultrasonic stimulation, the material may further change its properties and microstructure due to cyclic loading. Both are expected to be recognized and identified by loss coefficients. Therefore, the loss coefficient was determined by modal analysis of rods and fatigue specimen made of different materials to correlate microstructural changes to attenuation. The determined loss coefficients indicated microstructural changes in all materials investigated, confirming results from previous investigations that showed an increasing attenuation due to cyclic loading for AISI 347. For the sonotrode materials Z-M4 PM and Ferrotitanit WFN, the loss coefficients decreased due to thermal treatments. Technically most relevant, changes in elastic modulus due to thermal treatments were quantitatively related to frequency changes, which can significantly simplify future sonotrode development.
In Vitro Interactions between Okadaic Acid and Rat Gut Microbiome
Authors: Liu Yang , Xu Siyuan , Cai Qiudie , Li Dawei , Li Hongye , Yang Weidong
Published: August 2022

Okadaic acid (OA) is a marine biotoxin associated with diarrhetic shellfish poisoning (DSP), posing some threat to human beings. The oral toxicity of OA is complex, and the mechanism of toxicity is not clear. The interaction between OA and gut microbiota may provide a reasonable explanation for the complex toxicity of OA. Due to the complex environment in vivo, an in vitro study may be better for the interactions between OA and gut microbiome. Here, we conducted an in vitro fermentation experiment of gut bacteria in the presence of 0–1000 nM OA. The remolding ability of OA on bacterial composition was investigated by 16S rDNA sequencing, and differential metabolites in fermentation system with different concentration of OA was detected by LC-MS/MS. We found that OA inhibited some specific bacterial genera but promoted others. In addition, eight possible metabolites of OA, including dinophysistoxin-2 (DTX-2), were detected in the fermentation system. The abundance of Faecalitalea was strongly correlated with the possible metabolites of OA, suggesting that Faecalitalea may be involved in the metabolism of OA in vitro. Our findings confirmed the direct interaction between OA and gut bacteria, which helps to reveal the metabolic process of OA and provide valuable evidence for elucidating the complex toxicity of OA.
Augmented Corticotomy on the Lingual Side in Mandibular Anterior Region Assisting Orthodontics in Protrusive Malocclusion: A Case Report
Authors: Lu Yun , Liu Haohao , Liu Jialiang , Chen Meihua
Published: August 2022

Adequate alveolar bone volume is a prerequisite condition for successful orthodontic tooth movement and posttreatment stability. Mandibular anterior teeth are more likely to exhibit dehiscence and fenestration in adult patients, which make orthodontic treatment in adults challenging, especially when the amount of retraction of the anterior teeth is large. Herein, we report the treatment of augmented corticotomy only on the lingual side in the mandibular anterior region to increase the volume of soft and hard tissue assisting orthodontics in a Class I bialveolar protrusive malocclusion and propose management strategies of mandibular incisor retractions. A 22-year-old female with a chief complaint of protrusive mouth presented to the Department of Orthodontics for orthodontic treatment, diagnosed with Class I bialveolar protrusive. The orthodontic treatment plan involved the extraction of four premolars and extensive retraction of the anterior teeth using microimplant anchorage. In consideration of the fenestration and dehiscence in the mandibular anterior alveolar bone and the pattern of tooth movement, augmented corticotomy was performed on the lingual side combined with bone grafting. Clinical and radiographic evaluation after treatment revealed significant improvements in the facial profile and in periodontal phenotype. Augmented corticotomy assisting orthodontic treatment could be a promising treatment strategy for adult patients with alveolar protrusion to maintain periodontal health.
Solar Photocatalytic Membranes: An Experimental and Artificial Neural Network Modeling Approach for Niflumic Acid Degradation
Authors: Aoudjit Lamine , Salazar Hugo , Zioui Djamila , Sebti Aicha , Martins Pedro Manuel , Lanceros-Méndez Senentxu
Published: August 2022

The presence of contaminants of emerging concern (CEC), such as pharmaceuticals, in water sources is one of the main concerns nowadays due to their hazardous properties causing severe effects on human health and ecosystem biodiversity. Niflumic acid (NFA) is a widely used anti-inflammatory drug, and it is known for its non-biodegradability and resistance to chemical and biological degradation processes. In this work, a 10 wt.% TiO2/PVDF–TrFE nanocomposite membrane (NCM) was prepared by the solvent casting technique, fully characterized, and implemented on an up-scaled photocatalytic membrane reactor (PMR). The photocatalytic activity of the NCM was evaluated on NFA degradation under different experimental conditions, including NFA concentration, pH of the media, irradiation time and intensity. The NCM demonstrated a remarkable photocatalytic efficiency on NFA degradation, as efficiency of 91% was achieved after 6 h under solar irradiation at neutral pH. The NCM proved effective in long-term use, with maximum efficiency losses of 7%. An artificial neural network (ANN) model was designed to model NFA’s photocatalytic degradation behavior, demonstrating a good agreement between experimental and predicted data, with an R2 of 0.98. The relative significance of each experimental condition was evaluated, and the irradiation time proved to be the most significant parameter affecting the NFA degradation efficiency. The designed ANN model provides a reliable framework l for modeling the photocatalytic activity of TiO2/PVDF-TrFE and related NCM.
Metal Embedded Phthalocyanine Monolayers as Promising Materials for Toxic Formaldehyde Gas Detection: Insights from DFT Calculations
Authors: Xue Rou , Wang Chen , Wang Yajun , Guo Qijun , Dai Enrui , Nie Zhifeng
Published: August 2022

The design of the good-performance materials for toxic formaldehyde (CH2O)-gas-detection is critical for environmental preservation and human health. In this work, density functional theory (DFT) calculations were employed to investigate the adsorption behavior and electronic properties of CH2O on transition metal (TM)-doped phthalocyanine monolayers. Our results prove that PdPc and RuPc monolayers are thermodynamically stable. Analysis of the adsorption energy showed that the CH2O gas molecule was chemisorbed on the RuPc monolayer, while it was physisorbed on the PdPc nanosheet. The microcosmic interaction mechanism within the gas-adsorbent system was revealed by analyzing the density of states, the charge-density difference, the electron-density distribution, and the Hirshfeld charge transfer. Additionally, the RuPc monolayer was highly sensitive to CH2O due to the obvious changes in electrical conductivity, and the recovery time of CH2O molecule was predicted to be 2427 s at room temperature. Therefore, the RuPc monolayer can be regarded as a promising gas-sensing material for CH2O detection.
Evolution of Symmetrical Grain Boundaries under External Strain in Iron Investigated by Molecular Dynamics Method
Authors: Ma Wenxue , Dong Yibin , Yu Miaosen , Wang Ziqiang , Liu Yong , Gao Ning , Dong Limin , Wang Xuelin
Published: August 2022

In the present work, the evolution of atomic structures and related changes in energy state, atomic displacement and free volume of symmetrical grain boundaries (GB) under the effects of external strain in body-centered cubic (bcc) iron are investigated by the molecular dynamics (MD) method. The results indicate that without external strain, full MD relaxations at high temperatures are necessary to obtain the lower energy states of GBs, especially for GBs that have lost the symmetrical feature near GB planes following MD relaxations. Under external strain, two mechanisms are explored for the failure of these GBs, including slip system activation, dislocation nucleation and dislocation network formation induced directly by either the external strain field or by phase transformation from the initial bcc to fcc structure under the effects of external strain. Detailed analysis shows that the change in free volume is related to local structure changes in these two mechanisms, and can also lead to increases in local stress concentration. These findings provide a new explanation for the failure of GBs in BCC iron systems.
Metabolomics and Biomarkers in Retinal and Choroidal Vascular Diseases
Authors: Hou Xiao-Wen , Wang Ying , Ke Chao-Fu , Li Mei-Yan , Pan Chen-Wei
Published: August 2022

The retina is one of the most important structures in the eye, and the vascular health of the retina and choroid is critical to visual function. Metabolomics provides an analytical approach to endogenous small molecule metabolites in organisms, summarizes the results of “gene-environment interactions”, and is an ideal analytical tool to obtain “biomarkers” related to disease information. This study discusses the metabolic changes in neovascular diseases involving the retina and discusses the progress of the study from the perspective of metabolomics design and analysis. This study advocates a comparative strategy based on existing studies, which encompasses optimization of the performance of newly identified biomarkers and the consideration of the basis of existing studies, which facilitates quality control of newly discovered biomarkers and is recommended as an additional reference strategy for new biomarker discovery. Finally, by describing the metabolic mechanisms of retinal and choroidal neovascularization, based on the results of existing studies, this study provides potential opportunities to find new therapeutic approaches.
Miramides A–D: Identification of Detoxin-like Depsipeptides after Heterologous Expression of a Hybrid NRPS-PKS Gene Cluster from Streptomyces mirabilis Lu17588
Authors: Paulus Constanze , Myronovskyi Maksym , Zapp Josef , Rodríguez Estévez Marta , Lopatniuk Maria , Rosenkränzer Birgit , Palusczak Anja , Luzhetskyy Andriy
Published: August 2022

Natural products derived from plants, fungi or bacteria have been used for years in the medicine, agriculture and food industries as they exhibit a variety of beneficial properties, such as antibiotic, antifungal, anticancer, herbicidal and immunosuppressive activities. Compared to synthetic compounds, natural products possess a greater chemical diversity, which is a reason why they are profitable templates for developing pharmaceutical drug candidates and ongoing research on them is inevitable. Performing heterologous expression with unknown gene clusters is the preferred method to activate gene clusters that are not expressed in the wild-type strain under laboratory conditions; thus, this method offers a way to discover new interesting metabolites. Here, we report the gene cluster assembly of a hybrid NRPS-PKS gene cluster from Streptomyces mirabilis Lu17588, which was heterologously expressed in Streptomyces albus Del14. Four new compounds were produced by the obtained strain, which were named miramides A–D. Isolation and structure elucidation revealed similarity of the isolated compounds to the known depsipeptides rimosamides/detoxins.
Molecular Shield for Protection of Buckwheat Plants from UV-B Radiation
Authors: Kreft Ivan , Vollmannová Alena , Lidiková Judita , Musilová Janette , Germ Mateja , Golob Aleksandra , Vombergar Blanka , Kocjan Ačko Darja , Luthar Zlata
Published: August 2022

Tartary buckwheat (Fagopyrum tataricum (L.) Gaertn.) and common buckwheat (Fagopyrum esculentum Moench) are adapted to growing in harsh conditions of high altitudes. Ultraviolet radiation at high altitudes strongly impacts plant growth and development. Under the influence of ultraviolet radiation, protecting substances are synthesized in plants. The synthesis of UV-B defense metabolites is genetically conditioned, and their quantity depends on the intensity of the ultraviolet radiation to which the plants and plant parts are exposed. These substances include flavonoids, and especially rutin. Other substances with aromatic rings of six carbon atoms have a similar function, including fagopyrin, the metabolite specific for buckwheat. Defensive substances are formed in the leaves and flowers of common and Tartary buckwheat, up to about the same concentration in both species. In comparison, the concentration of rutin in the grain of Tartary buckwheat is much higher than in common buckwheat. Flavonoids also have other functions in plants so that they can protect them from pests and diseases. After crushing the grains, rutin is exposed to contact with the molecules of rutin-degrading enzymes. In an environment with the necessary humidity, rutin is turned into bitter quercetin under the action of rutin-degrading enzymes. This bitterness has a deterrent effect against pests. Moreover, flavonoids have important functions in human nutrition to prevent several chronic diseases, including obesity, cardiovascular diseases, gallstone formation, and hypertension.
Synthesis and Kinase Inhibitory Potencies of Pyrazolo[3,4-g]isoquinolines
Authors: Defois Mathilde , Rémondin Chloé , Josselin Béatrice , Nauton Lionel , Théry Vincent , Anizon Fabrice , Ruchaud Sandrine , Giraud Francis , Moreau Pascale
Published: August 2022

A new series of pyrazolo[3,4-g]isoquinoline derivatives, diversely substituted at the 4- or 8-position, were synthesized. The results of the kinase inhibitory potency study demonstrated that the introduction of a bromine atom at the 8-position was detrimental to Haspin inhibition, while the introduction of an alkyl group at the 4-position led to a modification of the kinase inhibition profiles. Altogether, the results obtained demonstrated that new pyrazolo[3,4-g]isoquinolines represent a novel family of kinase inhibitors with various selectivity profiles.
Bacterial Cellulose as a Versatile Biomaterial for Wound Dressing Application
Authors: de Amorim Julia Didier Pedrosa , da Silva Junior Claudio José Galdino , de Medeiros Alexandre D’Lamare Maia , do Nascimento Helenise Almeida , Sarubbo Mirella , de Medeiros Thiago Pettrus Maia , Costa Andréa Fernanda de Santana , Sarubbo Leonie Asfora
Published: August 2022

Chronic ulcers are among the main causes of morbidity and mortality due to the high probability of infection and sepsis and therefore exert a significant impact on public health resources. Numerous types of dressings are used for the treatment of skin ulcers-each with different advantages and disadvantages. Bacterial cellulose (BC) has received enormous interest in the cosmetic, pharmaceutical, and medical fields due to its biological, physical, and mechanical characteristics, which enable the creation of polymer composites and blends with broad applications. In the medical field, BC was at first used in wound dressings, tissue regeneration, and artificial blood vessels. This material is suitable for treating various skin diseases due its considerable fluid retention and medication loading properties. BC membranes are used as a temporary dressing for skin treatments due to their excellent fit to the body, reduction in pain, and acceleration of epithelial regeneration. BC-based composites and blends have been evaluated and synthesized both in vitro and in vivo to create an ideal microenvironment for wound healing. This review describes different methods of producing and handling BC for use in the medical field and highlights the qualities of BC in detail with emphasis on biomedical reports that demonstrate its utility. Moreover, it gives an account of biomedical applications, especially for tissue engineering and wound dressing materials reported until date. This review also includes patents of BC applied as a wound dressing material.
1-Propyl-4(5)-Methylimidazole Isomers for Temperature Swing Solvent Extraction
Authors: Qian Shuai , Ward Lauren M. , Rakers Luke S. , Weinman Steven T. , Bara Jason E.
Published: August 2022

Temperature swing solvent extraction (TSSE) utilizes an amine solvent with temperature-dependent water solubility to dissolve water at a lower temperature to concentrate or crystallize the brine and the phases are separated. Then, the water in solvent mixture is heated to reduce water solubility and cause phase separation between the solvent and water. The solvent and de-salted water phases are separated, and the regenerated solvent can be recycled. Issues with current TSSE solvents include the high solvent in water solubility and the high solvent volatility. This project used the highly tunable platform molecule imidazole to create two 1-butylimidazole isomers, specifically 1-propyl-4(5)-methylimidazole, to test their effectiveness for TSSE. The imidazoles take in more water than their current state-of-the-art counterparts, but do not desalinate the product water and dissolve in water at higher concentrations. Thus, while imidazoles make intriguing candidates for TSSE, further work is needed to understand how to design imidazoles that will be useful for TSSE applications.
Trends and Technological Advancements in the Possible Food Applications of Spirulina and Their Health Benefits: A Review
Authors: AlFadhly Nawal K. Z. , Alhelfi Nawfal , Altemimi Ammar B. , Verma Deepak Kumar , Cacciola Francesco , Narayanankutty Arunaksharan
Published: August 2022

Spirulina is a kind of blue-green algae (BGA) that is multicellular, filamentous, and prokaryotic. It is also known as a cyanobacterium. It is classified within the phylum known as blue-green algae. Despite the fact that it includes a high concentration of nutrients, such as proteins, vitamins, minerals, and fatty acids—in particular, the necessary omega-3 fatty acids and omega-6 fatty acids—the percentage of total fat and cholesterol that can be found in these algae is substantially lower when compared to other food sources. This is the case even if the percentage of total fat that can be found in these algae is also significantly lower. In addition to this, spirulina has a high concentration of bioactive compounds, such as phenols, phycocyanin pigment, and polysaccharides, which all take part in a number of biological activities, such as antioxidant and anti-inflammatory activity. As a result of this, spirulina has found its way into the formulation of a great number of medicinal foods, functional foods, and nutritional supplements. Therefore, this article makes an effort to shed light on spirulina, its nutritional value as a result of its chemical composition, and its applications to some food product formulations, such as dairy products, snacks, cookies, and pasta, that are necessary at an industrial level in the food industry all over the world. In addition, this article supports the idea of incorporating it into the food sector, both from a nutritional and health perspective, as it offers numerous advantages.
A Comparative Loading and Release Study of Vancomycin from a Green Mesoporous Silica
Authors: Dolete Georgiana , Purcăreanu Bogdan , Mihaiescu Dan Eduard , Ficai Denisa , Oprea Ovidiu-Cristian , Bîrcă Alexandra Cătălina , Chircov Cristina , Vasile Bogdan Ștefan , Vasilievici Gabriel , Ficai Anton , Andronescu Ecaterina
Published: August 2022

Since its first use as a drug delivery system, mesoporous silica has proven to be a surprisingly efficient vehicle due to its porous structure. Unfortunately, most synthesis methods are based on using large amounts of surfactants, which are then removed by solvent extraction or heat treatment, leading to an undesired environmental impact because of the generated by-products. Hence, in the present study, we followed the synthesis of a silica material with a wormhole-like pore arrangement, using two FDA-approved substances as templates, namely Tween-20 and starch. As far as we know, it is the first study using the Tween-20/starch combo as a template for mesoporous silica synthesis. Furthermore, we investigated whether the obtained material using this novel synthesis had any potential in using it as a DDS. The material was further analyzed by XRD, TEM, FT-IR, N2 adsorption/desorption, and DLS to investigate its physicochemical features. Vancomycin was selected as the active molecule based on the extensive research engaged towards improving its bioavailability for oral delivery. The drug was loaded onto the material by using three different approaches, assuming its full retention in the final system. Thermal analysis confirmed the successful loading of vancomycin by all means, and pore volume significantly decreased upon loading, especially in the case of the vacuum-assisted method. All methods showed a slower release rate compared to the same amount of the pure drug. Loadings by physical mixing and solvent evaporation released the whole amount of the drug in 140 min, and the material loaded by the vacuum-assisted method released only 68.2% over the same period of time, leading us to conclude that vancomycin was adsorbed deeper inside the pores. The kinetic release of the three systems followed the Higuchi model for the samples loaded by physical mixing and vacuum-assisted procedures, while the solvent evaporation loading method was in compliance with the first-order model.
Phenolic Profile, Antioxidant and Enzyme Inhibitory Activities of Leaves from Two Cassia and Two Senna Species
Authors: Omer Haifa A. A. , Caprioli Giovanni , Abouelenein Doaa , Mustafa Ahmed M. , Uba Abdullahi Ibrahim , Ak Gunes , Ozturk Refiye Beyza , Zengin Gokhan , Yagi Sakina
Published: August 2022

Several species within the genera Cassia or Senna have a treasure of traditional medicines worldwide and can be a promising source of bioactive molecules. The objective of the present study was to evaluate the phenolic content and antioxidant and enzyme inhibition activities of leaf methanolic extracts of C. fistula L., C. grandis L., S. alexandrina Mill., and S. italica Mill. The two Cassia spp. contained higher total polyphenolic content (42.23–49.75 mg GAE/g) than the two Senna spp., and C. fistula had significantly (p ˂ 0.05) the highest concentration. On the other hand, the Senna spp. showed higher total flavonoid content (41.47–59.24 mg rutin equivalent per g of extract) than that found in the two Cassia spp., and S. alexandrina significantly (p ˂ 0.05) accumulated the highest amount. HPLC–MS/MS analysis of 38 selected bioactive compounds showed that the majority of compounds were identified in the four species, but with sharp variations in their concentrations. C. fistula was dominated by epicatechin (8928.75 µg/g), C. grandis by kaempferol-3-glucoside (47,360.04 µg/g), while rutin was the major compound in S. italica (17,285.02 µg/g) and S. alexandrina (6381.85). The methanolic extracts of the two Cassia species exerted significantly (p ˂ 0.05) higher antiradical activity, metal reducing capacity, and total antioxidant activity than that recorded from the two Senna species’ methanolic extracts, and C. fistula displayed significantly (p ˂ 0.05) the highest values. C. grandis significantly (p ˂ 0.05) exhibited the highest metal chelating power. The results of the enzyme inhibition activity showed that the four species possessed anti-AChE activity, and the highest value, but not significantly (p ≥ 0.05) different from those obtained by the two Cassia spp., was exerted by S. alexandrina. The Cassia spp. exhibited significantly (p ˂ 0.05) higher anti-BChE and anti-Tyr properties than the Senna spp., and C. grandise revealed significantly (p ˂ 0.05) the highest values. C. grandise revealed significantly (p ˂ 0.05) the highest α- amylase inhibition, while the four species had more or less the same effect against the α-glucosidase enzyme. Multivariate analysis and in silico studies showed that many of the identified phenols may play key roles as antioxidant and enzyme inhibitory properties. Thus, these Cassia and Senna species could be a promising source of natural bioactive agents with beneficial effects for human health.
Molecular Mechanism of Tanshinone against Prostate Cancer
Authors: Li Wei , Huang Tao , Xu Shenghan , Che Bangwei , Yu Ying , Zhang Wenjun , Tang Kaifa
Published: August 2022

Prostate cancer (PCa) is the most common malignant tumor of the male urinary system in Europe and America. According to the data in the World Cancer Report 2020, the incidence rate of PCa ranks second in the prevalence of male malignant tumors and varies worldwide between regions and population groups. Although early PCa can achieve good therapeutic results after surgical treatment, due to advanced PCa, it can adapt and tolerate androgen castration-related drugs through a variety of mechanisms. For this reason, it is often difficult to achieve effective therapeutic results in the treatment of advanced PCa. Tanshinone is a new fat-soluble phenanthraquinone compound derived from Salvia miltiorrhiza that can play a therapeutic role in different cancers, including PCa. Several studies have shown that Tanshinone can target various molecular pathways of PCa, including the signal transducer and activator of transcription 3 (STAT3) pathway, androgen receptor (AR) pathway, phosphatidylinositol-3-kinase (PI3K)/protein kinase B (Akt)/mammalian target of rapamycin (mTOR) pathway, and mitogen-activated protein kinase (MAPK) pathway, which will affect the release of pro-inflammatory cytokines and affect cell proliferation, apoptosis, tumor metabolism, genomic stability, and tumor drug resistance. Thus, the occurrence and development of PCa cells are inhibited. In this review, we summarized the in vivo and in vitro evidence of Tanshinone against prostate cancer and discussed the effect of Tanshinone on nuclear factor kappa-B (NF-κB), AR, and mTOR. At the same time, we conducted a network pharmacology analysis on the four main components of Tanshinone to further screen the possible targets of Tanshinone against prostate cancer and provide ideas for future research.