bluuebunny/crossref_metadata_2025 huggingface dataset:
Mililatensols A–C, New Records of Sarsolenane and Capnosane Diterpenes from Soft Coral Sarcophyton mililatensis
Authors: Bu Qing , Yang Min , Yan Xian-Yun , Li Song-Wei , Ge Zeng-Yue , Zhang Ling , Yao Li-Gong , Guo Yue-Wei , Liang Lin-Fu
Published: September 2022

Three unusual diterpenes with rare sarsolenane and capnosane skeletons, namely mililatensols A–C (1–3), were isolated from the South China Sea soft coral Sarcophyton mililatensis, leading to the first record of sarsolenane and capnosane diterpenes from the title animal. The structures of compounds 1–3 were established by extensive spectroscopic analysis and comparison with the literature data. Moreover, the absolute configuration of 2 was determined by TDDFT ECD calculations. In an in vitro bioassay, none of the isolated compounds showed obvious anti-inflammatory activity on LPS-induced TNF-α release in RAW264.7 macrophages. In the preliminary virtual screening of inhibitory potential against SARS-CoV-2 by molecular docking, the results showed these three diterpenes were potential SARS-CoV-2 Mpro inhibitors.
Experience with Optical Coherence Tomography Enhanced by a Novel Software (Ultreon™ 1.0 Software)—The First One Hundred Cases
Authors: Bartuś Stanisław , Siłka Wojciech , Kasprzycki Karol , Sabatowski Karol , Malinowski Krzysztof Piotr , Rzeszutko Łukasz , Chyrchel Michał , Bryniarski Leszek , Surdacki Andrzej , Bartuś Krzysztof , Januszek Rafał
Published: September 2022

Introduction: Optical coherence tomography (OCT) intravascular imaging including the latest version Ultreon™ 1.0 Software (Abbott Vascular, Santa Clara, CA, USA), not only improve patients prognosis, but also facilitates improved percutaneous coronary intervention (PCI). Objectives: The aim of the study was to compare procedure related decision making, procedural indices, clinical outcomes according to the extent of stent expansion and assess risk factors of underexpansion in patients treated with PCI using OCT. Methods: The study comprised 100 patients, which were divided in groups according to the extent of stent expansion: <90 (29 patients) and ≥90% (71 patients). Comparison of OCT parameters, selected clinical and procedural characteristics was performed between groups. We assessed clinical outcomes during the follow-up: major adverse cardiovascular events and risk factors of stent underexpansion. Results: Patients from the stent underexpansion group were treated more often in the past with percutaneous peripheral interventions (p=0.02), no other significant differences being noted in general characteristics, procedural characteristics or clinical outcomes comparing both groups. Significant predictors of stent underexpansion assessed by simple linear univariable analysis included: hypercholesterolemia, obstructive bronchial diseases and treatment with inhalators, family history of cardiovascular disease, PCI of other than the left main coronary artery, stent and drug-eluting stent implantation, PCI without drug-eluting balloon, paclitaxel antimitotic agent, greater maximal stent diameter and lower mean Euroscore II value. Univariable logistic regression analysis revealed a correlation between stent underexpansion and greater creatinine serum concentration before [OR: 0.97, 95%CI: 0.95-0.99, p=0.01] and after PCI [OR: 0.98, 95%CI: 0.96-0.99, p=0.02]. Conclusions: Based on the presented analysis, the degree of stent expansion is not related to the selected procedural, OCT imaging indices and clinical outcomes. Logistic regression analysis confirmed such a relationship for creatinine level.
Impact of Pulmonary Hypertension on Mortality after Surgery for Aortic Stenosis
Authors: Iliuta Luminita , Rac-Albu Marius , Rac-Albu Madalina-Elena , Andronesi Andreea
Published: September 2022

Background and Objectives: The prognosis of patients with aortic stenosis (AS) adding pulmonary hypertension (PHT) is worse than in those with normal pulmonary artery pressure (PAP), and there are few results reported for the association between PHT and adverse outcomes of AS. We aimed to determine the predictive factors for the development of PHT in patients with surgical AS and to identify those factors that may predict the surgical prognosis. We aimed to identify the independent predictors for PHT regression at 2 years after surgery. Additionally, we tried to evaluate the involvement of PHT as an additional perioperative risk factor in patients with AS undergoing surgical aortic valve replacement (AVR). Materials and Methods: We carried out a two-year prospective study on 340 patients with AS undergoing surgical AVR. Results: The independent predictors for the occurrence of PHT in patients with surgical AS were: age > 75 years (RR = 6, p = 0.001), a restrictive left ventricle diastolic filling pattern (LVDFP) (RR = 9, p = 0.001) and associated moderate mitral regurgitation (MR) (RR = 9, p = 0.0001). The presence of severe PHT increased by 7.6 times the early postoperative risk of death, regardless of the presence of other parameters. The independent predictors for early postoperative mortality were: severe PHT, restrictive left ventricle diastolic pattern, age > 75 years, interventricular septum (IVS) thickness >18 mm and the presence of comorbidities. Conclusions: The presence of a severe PHT in patients with AS undergoing surgical AVR is associated with an early postoperative increased mortality rate. The mean PAP is a more reliable parameter for prognosis appreciation than the LV systolic function.
Outcomes in Hybrid Breast Reconstruction: A Systematic Review
Authors: Alessandri Bonetti Mario , Carbonaro Riccardo , Borelli Francesco , Amendola Francesco , Cottone Giuseppe , Mazzocconi Luca , Mastroiacovo Alessandro , Zingaretti Nicola , Parodi Pier Camillo , Vaienti Luca
Published: September 2022

Background and Objectives: Lipofilling is a commonly performed procedure worldwide for breast augmentation and correction of breast contour deformities. In breast reconstruction, fat grafting has been used as a single reconstructive technique, as well as in combination with other procedures. The aim of the present study is to systematically review available studies in the literature describing the combination of implant-based breast reconstruction and fat grafting, focusing on safety, complications rate, surgical sessions needed to reach a satisfying reconstruction, and patient-reported outcomes. Materials and Methods: We adhered to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) throughout the whole review protocol. A systematic review of the literature up to April 2022 was performed using Medline, Embase, and Cochrane Library databases. Only studies dealing with implant-based breast reconstruction combined with fat grafting were included. Results: We screened 292 articles by title and abstract. Only 48 articles were assessed for full-text eligibility, and among those, 12 studies were eventually selected. We included a total of 753 breast reconstructions in 585 patients undergoing mastectomy or demolitive breast surgeries other than mastectomy (quadrantectomy, segmentectomy, or lumpectomy) due to breast cancer or genetic predisposition to breast cancer. Overall, the number of complications was 60 (7.9%). The mean volume of fat grafting per breast per session ranged from 59 to 313 mL. The mean number of lipofilling sessions per breast ranged from 1.3 to 3.2. Conclusions: Hybrid breast reconstruction shows similar short-term complications to standard implant-based reconstruction but with the potential to significantly decrease the risk of long-term complications. Moreover, patient satisfaction was achieved with a reasonably low number of lipofilling sessions (1.7 on average).
The Prognostic Value of Optic Nerve Sheath Diameter/Eyeball Transverse Diameter Ratio in the Neurological Outcomes of Out-of-Hospital Cardiac Arrest Patients
Authors: Cho Byeong-In , Lee Heekyung , Shin Hyungoo , Kim Changsun , Choi Hyuk-Joong , Kang Bo-Seoung
Published: September 2022

Background and objectives: The optic nerve sheath diameter (ONSD) is indicative of elevated intracranial pressure. However, the usefulness of the ONSD for predicting neurologic outcomes in cardiac arrest survivals has been debatable. Reportedly, the ONSD/eyeball transverse diameter (ETD) ratio is a more reliable marker for identifying intracranial pressure than sole use of ONSD. Materials and Methods: This retrospective study aimed to investigate the prognostic value of the ONSD/ETD ratio in out-of-hospital cardiac arrest (OHCA) patients. We studied the brain computed tomography scans of adult OHCA patients with return of spontaneous circulation, who visited a single hospital connected with a Korean university between January 2015 and September 2020. We collected baseline characteristics and patient information from electronic medical records and ONSD and ETD were measured by two physicians with a pre-defined protocol. According to their neurologic outcome upon hospital discharge, patients were divided into good neurologic outcome (GNO; cerebral performance category [CPC] 1–2) and poor neurologic outcome (PNO; CPC 3–5) groups. We evaluated the ONSD/ETD ratio between the GNO and PNO groups to establish its prognostic value for neurologic outcomes. Results: Of the 100 included patients, 28 had GNO. Both the ONSD and ETD were not significantly different between the two groups (ONSD, 5.48 mm vs. 5.66 mm, p = 0.054; ETD, 22.98 mm vs. 22.61 mm, p = 0.204). However, the ONSD/ETD ratio was significantly higher in the PNO group in the univariate analysis (0.239 vs. 0.255, p = 0.014). The area under the receiver operating characteristic curve of ONSD/ETD ratio for predicting PNO was 0.66 (95% confidence interval, 0.56–0.75; p = 0.006). There was no independent relationship between the ONSD/ETD ratio and PNO in multivariate analysis (aOR = 0.000; p = 0.173). Conclusions: The ONSD/ETD ratio was more reliable than sole use of ONSD and might be used to predict neurologic outcomes in OHCA survivors.
Maternal High-Fat Diet Programs White and Brown Adipose Tissues In Vivo in Mice, with Different Metabolic and Microbiota Patterns in Obesity-Susceptible or Obesity-Resistant Offspring
Authors: Guzzardi Maria Angela , Collado Maria Carmen , Panetta Daniele , Tripodi Maria , Iozzo Patricia
Published: September 2022

Maternal obesity causes metabolic dysfunction in the offspring, including dysbiosis, overeating, obesity, and type 2 diabetes. Early-life phases are fundamental for developing subcutaneous (SAT) and brown adipose tissues (BAT), handling energy excesses. Imaging of 18F-fluorodeoxyglucose by positron emission tomography (PET) and radiodensity by computerized tomography (CT) allows assessing adipose tissue (AT) whitening and browning in vivo and the underlying metabolic efficiency. Our aim was to examine these in vivo traits in SAT and BAT concerning gut microbiota composition in 1- and 6-month-old mice born to normal (NDoff) and high-fat diet-fed dams (HFDoff), accounting for body weight responses. We found low radiodensity (high lipids) in HFDoff SAT at 1 month, relating to an increased abundance of Dorea genus in the caecum and activation of the fatty acid biosynthetic pathway. Instead, low BAT radiodensity and glucose uptake were seen in adult HFDoff. Glucose was shifted in favor of BAT at 1 month and SAT at 6 months. In adults, unclassified Enterococcaceae and Rikenellaceae, and Bacillus genera were negatively related to BAT, whereas unclassified Clostridiales genera were related to SAT metabolism. Stratification of HFDoff based on weight-response, namely maternal induced obesity (MIO-HFDoff) or obesity-resistant (MIOR-HFDoff), showed sex dimorphism. Both subgroups were hyperphagic, but only obese mice had hyper-leptinemia and hyper-resistinemia, together with BAT dysfunction, whereas non-obese HFDoff had hyperglycemia and SAT hypermetabolism. In the caecum, unclassified Rikenellaceae (10-fold enrichment in MIO-HFDoff) and Clostridiales genera (4-fold deficiency in MIOR-HFDoff) were important discriminators of these two phenotypes. In conclusion, SAT whitening is an early abnormality in the offspring of HFD dams. In adult life, maternal HFD and the induced excessive food intake translates into a dimorphic phenotype involving SAT, BAT, and microbiota distinctively, reflecting maternal diet*sex interaction. This helps explain inter-individual variability in fetal programming and the higher rates of type 2 diabetes observed in adult women born to obese mothers, supporting personalized risk assessment, prevention, and treatment.
Microbial Tryptophan Metabolism Tunes Host Immunity, Metabolism, and Extraintestinal Disorders
Authors: Liu Moyan , Nieuwdorp Max , de Vos Willem M. , Rampanelli Elena
Published: September 2022

The trillions of commensal microorganisms comprising the gut microbiota have received growing attention owing to their impact on host physiology. Recent advances in our understandings of the host–microbiota crosstalk support a pivotal role of microbiota-derived metabolites in various physiological processes, as they serve as messengers in the complex dialogue between commensals and host immune and endocrine cells. In this review, we highlight the importance of tryptophan-derived metabolites in host physiology, and summarize the recent findings on the role of tryptophan catabolites in preserving intestinal homeostasis and fine-tuning immune and metabolic responses. Furthermore, we discuss the latest evidence on the effects of microbial tryptophan catabolites, describe their mechanisms of action, and discuss how perturbations of microbial tryptophan metabolism may affect the course of intestinal and extraintestinal disorders, including inflammatory bowel diseases, metabolic disorders, chronic kidney diseases, and cardiovascular diseases.
UPLC-LTQ-Orbitrap-Based Cell Metabolomics and Network Pharmacology Analysis to Reveal the Potential Antiarthritic Effects of Pristimerin: In Vitro, In Silico and In Vivo Study
Authors: Lv Mengying , Liang Qiaoling , Luo Zhaoyong , Han Bo , Ni Tengyang , Wang Yang , Tao Li , Lyu Weiting , Xiang Jie , Liu Yanqing
Published: September 2022

Rheumatoid arthritis (RA) is characterized by systemic inflammation and synovial hyperplasia. Pristimerin, a natural triterpenoid isolated from plants belonging to the Celastraceae and Hippocrateaceae families, has been reported to exhibit anti-inflammation and anti-proliferation activities. Our study aims to reveal the antiarthritic effects of pristimerin and explore its potential mechanism using in vitro, in silico, and in vivo methods. In the present study, pristimerin treatment led to a dose-dependent decrease in cell viability and migration in TNF-α stimulated human rheumatoid arthritis fibroblast-like synoviocytes MH7A. Moreover, UPLC-LTQ-Orbitrap-based cell metabolomics analysis demonstrated that phospholipid biosynthesis, fatty acid biosynthesis, glutathione metabolism and amino acid metabolic pathways were involved in TNF-α induced MH7A cells after pristimerin treatment. In addition, the adjuvant–induced arthritis (AIA) rat model was employed, and the results exhibited that pristimerin could effectively relieve arthritis symptoms and histopathological damage as well as reduce serum levels of TNF-α, NO and synovial expressions of p-Akt and p-Erk in AIA rats. Furthermore, network pharmacology analysis was performed to visualize crucial protein targets of pristimerin for RA treatment, which showed that the effects were mediated through the MAPK/Erk1/2, PI3K/Akt pathways and directing binding with TNF-α. Taken together, our study not only offered new insights into the biochemical mechanism of natural compounds for RA treatment, but also provided a strategy that integrated in vitro, in silico and in vivo studies to facilitate screening of new anti-RA drugs.
Effect of Ball-Milled Steatite Powder on the Latent Heat Energy Storage Properties and Heat Charging–Discharging Periods of Paraffin Wax as Phase Change Material
Authors: Kannaiyan Sathiyalingam , Huang Song-Jeng , Rathnaraj David , Srinivasan S. A.
Published: September 2022

Phase change materials (PCMs) serve as an advantage in thermal energy storage systems utilizing the available sensible and latent heat. The PCMs absorb the thermal energy during the charging process and release it into the environment during the discharging process. Steatite is low cost and eco-friendly, with a thermal stability up to 1000 °C, and it is abundantly available in nature. This study investigates the steatite–paraffin wax-based PCM and the effect on the cyclic loads using a horizontal triplex-tube latent heat energy storage system. The thermal conductivity value of the milled steatite-based PCM composite was 7.7% higher than pure PCM. The PCM with the ball-milled steatite-fabricated composite exhibited better discharging characteristics, increasing the discharge time by 50% more than that of the pure paraffin wax. Moreover, the milled steatite-based PCM outperformed that incorporated with non-milled steatite with paraffin.
Development of MEMS Process Compatible (Bi,Sb)2(Se,Te)3-Based Thin Films for Scalable Fabrication of Planar Micro-Thermoelectric Generators
Authors: Bhatnagar Prithu , Vashaee Daryoosh
Published: September 2022

Bismuth telluride-based thin films have been investigated as the active material in flexible and micro thermoelectric generators (TEGs) for near room-temperature energy harvesting applications. The latter is a class of compact printed circuit board compatible devices conceptualized for operation at low-temperature gradients to generate power for wireless sensor nodes (WSNs), the fundamental units of the Internet-of-Things (IoT). CMOS and MEMS compatible micro-TEGs require thin films that can be integrated into the fabrication flow without compromising their thermoelectric properties. We present results on the thermoelectric properties of (Bi,Sb)2(Se,Te)3 thin films deposited via thermal evaporation of ternary compound pellets on four-inch SiO2 substrates at room temperature. Thin-film compositions and post-deposition annealing parameters are optimized to achieve power factors of 2.75 mW m−1 K−2 and 0.59 mW m−1 K−2 for p-type and n-type thin films. The measurement setup is optimized to characterize the thin-film properties accurately. Thin-film adhesion is further tested and optimized on several substrates. Successful lift-off of p-type and n-type thin films is completed on the same wafer to create thermocouple patterns as per the target device design proving compatibility with the standard MEMS fabrication process.
Explainable AI for Bearing Fault Prognosis Using Deep Learning Techniques
Authors: Sanakkayala Deva Chaitanya , Varadarajan Vijayakumar , Kumar Namya , Karan  , Soni Girija , Kamat Pooja , Kumar Satish , Patil Shruti , Kotecha Ketan
Published: September 2022

Predicting bearing failures is a vital component of machine health monitoring since bearings are essential parts of rotary machines, particularly large motor machines. In addition, determining the degree of bearing degeneration will aid firms in scheduling maintenance. Maintenance engineers may be gradually supplanted by an automated detection technique in identifying motor issues as improvements in the extraction of useful information from vibration signals are made. State-of-the-art deep learning approaches, in particular, have made a considerable contribution to automatic defect identification. Under variable shaft speed, this research presents a novel approach for identifying bearing defects and their amount of degradation. In the proposed approach, vibration signals are represented by spectrograms, and deep learning methods are applied via pre-processing with the short-time Fourier transform (STFT). A convolutional neural network (CNN), VGG16, is then used to extract features and classify health status. After this, RUL prediction is carried out with the use of regression. Explainable AI using LIME was used to identify the part of the image used by the CNN algorithm to give the output. Our proposed method was able to achieve very high accuracy and robustness for bearing faults, according to numerous experiments.
Effect of Myrtenol and Its Synergistic Interactions with Antimicrobial Drugs in the Inhibition of Single and Mixed Biofilms of Candida auris and Klebsiella pneumoniae
Authors: Maione Angela , La Pietra Alessandra , de Alteriis Elisabetta , Mileo Aldo , De Falco Maria , Guida Marco , Galdiero Emilia
Published: September 2022

The increased incidence of mixed infections requires that the scientific community develop novel antimicrobial molecules. Essential oils and their bioactive pure compounds have been found to exhibit a wide range of remarkable biological activities and are attracting more and more attention. Therefore, the aim of this study was to evaluate myrtenol (MYR), one of the constituents commonly found in some essential oils, for its potential to inhibit biofilms alone and in combination with antimicrobial drugs against Candida auris/Klebsiella pneumoniae single and mixed biofilms. The antimicrobial activity of MYR was evaluated by determining bactericidal/fungicidal concentrations (MIC), and biofilm formation at sub-MICs was analyzed in a 96-well microtiter plate by crystal violet, XTT reduction assay, and CFU counts. The synergistic interaction between MYR and antimicrobial drugs was evaluated by the checkerboard method. The study found that MYR exhibited antimicrobial activity at high concentrations while showing efficient antibiofilm activity against single and dual biofilms. To understand the underlying mechanism by which MYR promotes single/mixed-species biofilm inhibition, we observed a significant downregulation in the expression of mrkA, FKS1, ERG11, and ALS5 genes, which are associated with bacterial motility, adhesion, and biofilm formation as well as increased ROS production, which can play an important role in the inhibition of biofilm formation. In addition, the checkerboard microdilution assay showed that MYR was strongly synergistic with both caspofungin (CAS) and meropenem (MEM) in inhibiting the growth of Candida auris/Klebsiella pneumoniae-mixed biofilms. Furthermore, the tested concentrations showed an absence of toxicity for both mammalian cells in the in vitro and in vivo Galleria mellonella models. Thus, MYR could be considered as a potential agent for the management of polymicrobial biofilms.
Exploring LSU and ITS rDNA Sequences for Acanthamoeba Identification and Phylogeny
Authors: Corsaro Daniele
Published: September 2022

The identification and classification of strains of Acanthamoeba, a potentially pathogenic ubiquitous free-living amoeba, are largely based on the analysis of 18S rDNA sequences, currently delineating 23 genotypes, T1 to T23. In this study, the sequences of the ITS region, i.e., the 5.8S rDNA and the two internal transcribed spacers (ITS-1 and ITS-2), and those of the large subunit (LSU) rDNA of Acanthamoeba were recovered from amoeba genomes; the sequences are available in GenBank. The complete ITS–LSU sequences could be obtained for 15 strains belonging to 7 distinct lineages (T4A, T4D, T4F, T4G, T2, T5, and T18), and the site of the hidden break producing the 26Sα and 26Sβ was identified. For the other lines, either the LSU is partial (T2/T6, T7) or the ITS is fragmentary (T7, T10, T22). It is noteworthy that a number of sequences assigned to fungi turned out to actually be Acanthamoeba, only some of which could be affiliated with known genotypes. Analysis of the obtained sequences indicates that both ITS and LSU are promising for diagnostic and phylogenetic purposes.
Two-Stage Oxidative Leaching of Low-Grade Copper–Zinc Sulfide Concentrate
Authors: Bulaev Aleksandr , Melamud Vitaliy
Published: September 2022

Bioleaching may be effectively used to extract nonferrous metals from sulfide ores and concentrates. At the same time, some minerals are refractory and their bioleaching rate is often comparatively low that does not allow the required metal extraction rate to be achieved. In the present work, we studied the two-stage process, which included stages of biological and chemical leaching, to improve copper extraction from low grade Cu–Zn sulfide concentrate containing chalcopyrite, tennantite, pyrite, and sphalerite. Bioleaching was conducted in the continuous mode in three laboratory scale reactors connected in series. The pulp density was 10% and the residence time was 7 days. The temperature was 40 °C in the 1st reactor and 50 °C in the 2nd and 3rd reactors. Bioleaching allowed the extraction of 29.5 and 78% of Cu and Zn, respectively. The solid bioleach residue obtained was then treated for additional Cu and Zn recovery using high temperature leaching at 90 °C for 25 h. The liquid phase of the bioleaching pulp contained Fe3+ ions, which is the strong oxidant, and the leach solution was supplemented with NaCl. In the presence of the maximal NaCl concentration (1 M), Cu and Zn extraction reached 48 and 84%. Thus, two-stage leaching may allow to increase bioleaching efficiency and may be used to improve the bioleaching rate of refractory minerals, such as chalcopyrite.
Epigallocatechin Gallate Stabilized by Cyclodextrin Inactivates Influenza Virus and Human Coronavirus 229E
Authors: Matsuura Ryosuke , Kawamura Arisa , Matsumoto Yasunobu , Iida Yoshiki , Kanayama Masanori , Kurokawa Masahiko , Aida Yoko
Published: September 2022

Natural products are attractive antiviral agents because they are environment-friendly and mostly harmless. Epigallocatechin gallate (EGCg), a type of catechin, is a well-known natural antiviral agent that can inhibit various viruses. However, EGCg easily oxidizes and loses its physiological activity. Although this problem can be overcome by combining EGCg with cyclodextrin (CD-EGCg), which makes it stable in water at high concentrations, the antiviral effect of this compound remains unclear. Here, we show that in Madin–Darby canine kidney (MDCK) and MRC-5 cells, CD-EGCg is cytotoxic for 50% of cells at 85.61 and 65.34 ppm, respectively. Furthermore, CD-EGCg mainly shows its antiviral effect during the adsorption step for all four influenza virus strains (median effect concentration (EC50) was 0.93 to 2.78 ppm). Its antiviral effect post-adsorption is less intense, and no inhibitory effect is observed on influenza viruses pre-adsorption. Moreover, human coronavirus 229E (HCoV-229E) was inhibited at the adsorption step in short contact (EC50 = 2.5 ppm) and long contact conditions (EC50 = 0.5 ppm) by mixing CD-EGCg with HCoV-229E. These results suggest that CD-EGCg effectively inhibits various viruses that require an adsorption step, and is an effective tool for preventing infection.
Plant Growth-Promoting Bacterial Consortia as a Strategy to Alleviate Drought Stress in Spinacia oleracea
Authors: Petrillo Claudia , Vitale Ermenegilda , Ambrosino Patrizia , Arena Carmen , Isticato Rachele
Published: September 2022

Drought stress is one of the most severe abiotic stresses affecting soil fertility and plant health, and due to climate change, it is destined to increase even further, becoming a serious threat to crop production. An efficient, eco-friendly alternative is the use of plant growth-promoting bacteria (PGPB), which can promote plant fitness through direct and indirect approaches, protecting plants from biotic and abiotic stresses. The present study aims to identify bacterial consortia to promote Spinacia oleracea L. cv Matador’s seed germination and protect its seedlings from drought stress. Eight PGPB strains belonging to the Bacillus, Azotobacter, and Pseudomonas genera, previously characterized in physiological conditions, were analyzed under water-shortage conditions, and a germination bioassay was carried out by biopriming S. oleracea seeds with either individual strains or consortia. The consortia of B. amyloliquefaciens RHF6, B. amyloliquefaciens LMG9814, and B. sp. AGS84 displayed the capacity to positively affect seed germination and seedlings’ radical development in both standard and drought conditions, ameliorating the plants’ growth rate compared to the untreated ones. These results sustain using PGPB consortia as a valid ameliorating water stress strategy in the agro-industrial field.
LA–ICP-MS Zircon U–Pb and Alunite 39Ar/40Ar Dating of the Saozhouhe Alunite Deposit: Implications for the Metallogenic Significance of the Xiaotian Basin
Authors: Wan Qiu , Cao Jingya , Li Yanhe , Du Jianguo , Duan Chao , Shi Ke , Wang Limin
Published: September 2022

As an important part of the northern Huaiyang tectonic belt, the Mesozoic Xiaotian basin hosts a series of gold and alunite deposits. However, the ages of these deposits remain unclear, constraining the further understanding of the genesis of these deposits. In this work, zircon LA–ICP-MS and alunite 39Ar/40Ar isotopic dating studies were carried out on the andesitic porphyrite and alunite of the Saozhouhe alunite deposit, respectively. LA–ICP-MS zircon U–Pb dating for the Saozhouhe andesitic porphyrite yields a weighted average age of 122.8 ± 0.9 Ma (MSWD = 1.8), indicating that these volcanic rocks were formed in the Early Cretaceous period. The alunite 39Ar/40Ar dating yields a plateau age of 121.0 ± 1.1 Ma (MSWD = 4.4) and an isochron age of 121.2 ±1.9 Ma (MSWD = 8.5), indicating that the alunite was also formed in the Early Cretaceous period. Our finding confirms that the formation of the Saozhouhe alunite deposit is genetically related to the Cretaceous volcanic magmatism, which has great significance in the metallogenetic regularity of and further ore prospecting in the Xiaotian basin.
Interaction Forces between Diaspore and Kaolinite in NaOL Solution Probed by EDLVO Theory and AFM Analysis
Authors: Wu Yankun , Yang Shichong , Chai Wencui , Cao Yijun
Published: September 2022

Molecular force plays an important role in the interaction between collector and minerals, which directly reflects the intrinsic reason for the selectivity and collection of the collector to minerals. In this work, the interaction forces between sodium oleate (NaOL) and minerals (kaolinite and diaspore) were directly characterized by atomic force microscopy (AFM) combined with EDLVO theory. The results show that after interacting with NaOL, the zeta potentials of kaolinite and diaspore were more negative, and the hydrophobicity of minerals increased. EDLVO calculation results indicate that electrostatic repulsion dominated the interaction forces between mineral particles, and the van der Waals interaction energy, electrostatic interaction energy, and hydrophobic interaction energy increased after NaOL treatment. AFM measurements show that the NaOL collector increased the attraction force of diaspore-diaspore and kaolinite-kaolinite particles, and the increase in attraction force for diaspore-diaspore particles was larger than in kaolinite particles, which was consistent with the EDLVO results. The adhesion force between the NaOL collector and the diaspore surface was larger than in kaolinite, confirming the fact that NaOL had better collection and selectivity for diaspore than kaolinite. This work improves understanding of the interaction mechanisms between NaOL collector, diaspore, and kaolinite minerals.
Adsorption of Y(III) on the Interface of Kaolinite-H2O: A DFT Study
Authors: Zeng Xiangrong , Zeng Bin , Huang Lijinhong , Zhong Liang , Li Xindong , Huang Wanfu
Published: September 2022

Ion-adsorbed rare earth minerals have rare earth ions adsorbed on the surfaces of clay minerals such as kaolinite and have high contents of medium and heavy rare earth elements. They are important resources supporting the development of high-tech industries. In this study, the CASTEP module in Materials Studio was used to study the adsorption of the rare earth ion Y(III) on the interface of (Al-OH)-H2O and (Si-O)-H2O with density functional theory. The monitoring and calculation of the chemical bond of the adsorption structure showed that Y(III) on the (Al-OH)-H2O interface has a bond with O32, O34, and water molecules in the interface. In the (Si-O)-H2O interface, Y(III) interacts with O3, O4, and O10 to form new chemical bonds. The Mulliken population and density of states analysis showed that Y(III) bonds with surface oxygen atoms and water molecules in the kaolinite-H2O interface, and finally adsorbs on the surface of kaolinite in the form of metal ion hydrate.
A Critical Evaluation of Terpenoid Signaling at Cannabinoid CB1 Receptors in a Neuronal Model
Authors: Dvorakova Michaela , Wilson Sierra , Corey Wesley , Billingsley Jenna , Zimmowitch Anaëlle , Tracey Joye , Straiker Alex , Mackie Ken
Published: September 2022

In addition to phytocannabinoids, cannabis contains terpenoids that are claimed to have a myriad of effects on the body. We tested a panel of five common cannabis terpenoids, myrcene, linalool, limonene, α-pinene and nerolidol, in two neuronal models, autaptic hippocampal neurons and dorsal root ganglion (DRG) neurons. Autaptic neurons express a form of cannabinoid CB1 receptor-dependent retrograde plasticity while DRGs express a variety of transient receptor potential (TRP) channels. Most terpenoids had little or no effect on neuronal cannabinoid signaling. The exception was nerolidol, which inhibited endocannabinoid signaling. Notably, this is not via inhibition of CB1 receptors but by inhibiting some aspect of 2-arachidonoylglycerol (2-AG) production/delivery; the mechanism does not involve reducing the activity of the 2-AG-synthesizing diacylglycerol lipases (DAGLs). Nerolidol was also the only terpenoid that activated a sustained calcium response in a small (7%) subpopulation of DRGs. In summary, we found that only one of five terpenoids tested had notable effects on cannabinoid signaling in two neuronal models. Our results suggest that a few terpenoids may indeed interact with some components of the cannabinoid signaling system and may therefore offer interesting insights upon further study.
Misuse of Cardiac Lipid upon Exposure to Toxic Trace Elements—A Focused Review
Authors: Renu Kaviyarasi , Mukherjee Anirban Goutam , Wanjari Uddesh Ramesh , Vinayagam Sathishkumar , Veeraraghavan Vishnu Priya , Vellingiri Balachandar , George Alex , Lagoa Ricardo , Sattu Kamaraj , Dey Abhijit , Gopalakrishnan Abilash Valsala
Published: September 2022

Heavy metals and metalloids like cadmium, arsenic, mercury, and lead are frequently found in the soil, water, food, and atmosphere; trace amounts can cause serious health issues to the human organism. These toxic trace elements (TTE) affect almost all the organs, mainly the heart, kidney, liver, lungs, and the nervous system, through increased free radical formation, DNA damage, lipid peroxidation, and protein sulfhydryl depletion. This work aims to advance our understanding of the mechanisms behind lipid accumulation via increased free fatty acid levels in circulation due to TTEs. The increased lipid level in the myocardium worsens the heart function. This dysregulation of the lipid metabolism leads to damage in the structure of the myocardium, inclusive fibrosis in cardiac tissue, myocyte apoptosis, and decreased contractility due to mitochondrial dysfunction. Additionally, it is discussed herein how exposure to cadmium decreases the heart rate, contractile tension, the conductivity of the atrioventricular node, and coronary flow rate. Arsenic may induce atherosclerosis by increasing platelet aggregation and reducing fibrinolysis, as exposure interferes with apolipoprotein (Apo) levels, resulting in the rise of the Apo-B/Apo-A1 ratio and an elevated risk of acute cardiovascular events. Concerning mercury and lead, these toxicants can cause hypertension, myocardial infarction, and carotid atherosclerosis, in association with the generation of free radicals and oxidative stress. This review offers a complete overview of the critical factors and biomarkers of lipid and TTE-induced cardiotoxicity useful for developing future protective interventions.
Piezo-Responsive Hydrogen-Bonded Frameworks Based on Vanillin-Barbiturate Conjugates
Authors: Nebalueva Anna S. , Timralieva Alexandra A. , Sadovnichii Roman V. , Novikov Alexander S. , Zhukov Mikhail V. , Aglikov Aleksandr S. , Muravev Anton A. , Sviridova Tatiana V. , Boyarskiy Vadim P. , Kholkin Andrei L. , Skorb Ekaterina V.
Published: September 2022

A concept of piezo-responsive hydrogen-bonded π-π-stacked organic frameworks made from Knoevenagel-condensed vanillin–barbiturate conjugates was proposed. Replacement of the substituent at the ether oxygen atom of the vanillin moiety from methyl (compound 3a) to ethyl (compound 3b) changed the appearance of the products from rigid rods to porous structures according to optical microscopy and scanning electron microscopy (SEM), and led to a decrease in the degree of crystallinity of corresponding powders according to X-ray diffractometry (XRD). Quantum chemical calculations of possible dimer models of vanillin–barbiturate conjugates using density functional theory (DFT) revealed that π-π stacking between aryl rings of the vanillin moiety stabilized the dimer to a greater extent than hydrogen bonding between carbonyl oxygen atoms and amide hydrogen atoms. According to piezoresponse force microscopy (PFM), there was a notable decrease in the vertical piezo-coefficient upon transition from rigid rods of compound 3a to irregular-shaped aggregates of compound 3b (average values of d33 coefficient corresponded to 2.74 ± 0.54 pm/V and 0.57 ± 0.11 pm/V), which is comparable to that of lithium niobate (d33 coefficient was 7 pm/V).
Nypa fruticans Frond Waste for Pure Cellulose Utilizing Sulphur-Free and Totally Chlorine-Free Processes
Authors: Evelyn  , Sunarno  , Andrio David , Aman Azka , Ohi Hiroshi
Published: September 2022

The search for alternative methods for the production of new materials or fuel from renewable and sustainable biomass feedstocks has gained increasing attention. In this study, Nypa fruticans (nipa palm) fronds from agricultural residues were evaluated to produce pure cellulose by combining prehydrolysis for 1–3 h at 150 °C, sulfur-free soda cooking for 1–1.5 h at 160 °C with 13–25% active alkali (AA), 0.1% soluble anthraquinone (SAQ) catalyst, and three-stage totally chlorine-free (TCF) bleaching, namely oxygen, peroxymonosulfuric acid, and alkaline hydrogen peroxide stages. The optimal conditions were 3 h prehydrolysis and 1.5 h cooking with 20% AA. Soda cooking with SAQ was better than the kraft and soda process without SAQ. The method decreased the kappa number as a residual lignin content index of pulp from 13.4 to 9.9–10.2 and improved the yields by approximately 6%. The TCF bleaching application produced pure cellulose with a brightness of 92.2% ISO, 94.8% α-cellulose, viscosity of 7.9 cP, and 0.2% ash content. These findings show that nipa palm fronds can be used to produce pure cellulose, serving as a dissolving pulp grade for viscose rayon and cellulose derivatives.
Whole-Genome Analysis of Acinetobacter baumannii Strain AB43 Containing a Type I-Fb CRISPR-Cas System: Insights into the Relationship with Drug Resistance
Authors: Guo Tingting , Yang Jie , Sun Xiaoli , Wang Yuhang , Yang Liying , Kong Guimei , Jiao Hongmei , Bao Guangyu , Li Guocai
Published: September 2022

The CRISPR-Cas system is a bacterial and archaea adaptive immune system and is a newly recognized mechanism for controlling antibiotic resistance gene transfer. Acinetobacter baumannii (A. baumannii) is an important organism responsible for a variety of nosocomial infections. A. baumannii infections have become problematic worldwide because of the resistance of A. baumannii to multiple antibiotics. Thus, it is clinically significant to explore the relationship between the CRISPR-Cas system and drug resistance in A. baumannii. This study aimed to analyze the genomic characteristics of the A. baumannii strain AB3 containing the type I-Fb CRISPR-Cas system, which was isolated from a tertiary care hospital in China, and to investigate the relationship between the CRISPR-Cas system and antibiotic resistance in this strain. The whole-genome sequencing (WGS) of the AB43 strain was performed using Illumina and PacBio sequencing. The complete genome of AB43 consisted of a 3,854,806 bp chromosome and a 104,309 bp plasmid. The specific characteristics of the CRISPR-Cas system in AB43 are described as follows: (1) The strain AB43 carries a complete type I-Fb CRISPR-Cas system; (2) Homology analysis confirmed that the cas genes in AB43 share high sequence similarity with the same subtype cas genes; (3) A total of 28 of 105 A. baumannii AB43 CRISPR spacers matched genes in the bacteriophage genome database and the plasmid database, implying that the CRISPR-Cas system in AB43 provides immunity against invasive bacteriophage and plasmids; (4) None of the CRISPR spacers in A. baumannii AB43 were matched with antimicrobial resistance genes in the NCBI database. In addition, we analyzed the presence of antibiotic resistance genes and insertion sequences in the AB43 strain and found that the number of antibiotic resistance genes was not lower than in the “no CRISPR-Cas system” strain. This study supports the idea that the CRISPR-Cas system may inhibit drug-resistance gene expression via endogenous gene regulation, except to the published mechanism that the CRISPR-Cas system efficiently limits the acquisition of antibiotic resistance genes that make bacteria sensitive to antibiotics.
Indomethacin: The Interplay between Structural Relaxation, Viscous Flow and Crystal Growth
Authors: Svoboda Roman , Košťálová Daniela , Krbal Miloš , Komersová Alena
Published: September 2022

Non-isothermal differential scanning calorimetry (DSC) was used to study the influences of particle size (daver) and heating rate (q+) on the structural relaxation, crystal growth and decomposition kinetics of amorphous indomethacin. The structural relaxation and decomposition processes exhibited daver-independent kinetics, with the q+ dependences based on the apparent activation energies of 342 and 106 kJ·mol−1, respectively. The DSC-measured crystal growth kinetics played a dominant role in the nucleation throughout the total macroscopic amorphous-to-crystalline transformation: the change from the zero-order to the autocatalytic mechanism with increasing q+, the significant alteration of kinetics, with the storage below the glass transition temperature, and the accelerated crystallization due to mechanically induced defects. Whereas slow q+ led to the formation of the thermodynamically stable γ polymorph, fast q+ produced a significant amount of the metastable α polymorph. Mutual correlations between the macroscopic and microscopic crystal growth processes, and between the viscous flow and structural relaxation motions, were discussed based on the values of the corresponding activation energies. Notably, this approach helped us to distinguish between particular crystal growth modes in the case of the powdered indomethacin materials. Ediger’s decoupling parameter was used to quantify the relationship between the viscosity and crystal growth. The link between the cooperativity of structural domains, parameters of the Tool-Narayanaswamy-Moynihan relaxation model and microscopic crystal growth was proposed.
Development and Validation of a Highly Sensitive and Rapid LC-MS3 Strategy to Determine Oxcarbazepine and Its Active Metabolite in the Serum of Patients with Epilepsy and Its Application in Therapeutic Drug Monitoring
Authors: Ji Zhengchao , Li Tingting , Zhao Xin , Ma Wei , Li Yanyan , Huang Jing
Published: September 2022

A sensitive and rapid bioanalytical method based on the LC-triple-stage fragmentation (LC-MS3) strategy on a hybrid triple quadrupole-linear ion trap mass spectrometer in combination with protein precipitation extraction for sample pretreatment has been developed and validated for the simultaneous determination of the antiepileptic drug oxcarbazepine (OXC) and its main active metabolite (MHD) in human serum. The separation was performed on a Waters XBridge BEH C18 column (2.5 µm, 2.1 × 50 mm) in isocratic elution with 0.1% formic acid in water and methanol (50:50, v:v) as the mobile phase. The run time for each sample was 2.0 min. The calibration curves ranging from 25 to 1600 ng/mL for OXC and from 0.5 to 32 μg/mL for MHD showed correlation coefficients (r) better than 0.99. All of the validation data, such as precision, accuracy and other parameters, fit the requirements of the current bioanalytical method validation guidelines. The LC-MS3 method for quantitation of OXC and MHD was compared with the LC-MRM based method. Passing–Bablok regression coefficients and Bland–Altman plots showed that the developed LC–MS3 method is a reliable method for quantitative analysis of OXC and MHD. The proposed LC-MS3 method was successfully applied to determine the serum concentrations of OXC and MHD to support a clinical study.
Synthesis of a Pyrrolo[1,2-a]quinazoline-1,5-dione Derivative by Mechanochemical Double Cyclocondensation Cascade
Authors: Kolcsár Vanessza Judit , Szőllősi György
Published: September 2022

N-heterocyclic compounds, such as quinazolinone derivatives, have significant biological activities. Nowadays, as the demand for environmentally benign, sustainable processes increases, the application of compounds from renewable sources, easily separable heterogeneous catalysts and efficient, alternative activation methods is of great importance. In this study, we have developed a convenient, green procedure for the preparation of 3a-methyl-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinazoline-1,5-dione through a double cyclocondensation cascade using anthranilamide and ethyl levulinate. Screening of various heterogeneous Brønsted acid catalysts showed that Amberlyst® 15 is a convenient choice. By applying mechanochemical activation in the preparation of this N-heterotricyclic compound for the first time, it was possible to shorten the necessary time to three hours compared to the 24 h needed under conventional conditions to obtain a high yield of the target product.
Quantification of Arbutin in Cosmetics, Drugs and Food Supplements by Hydrophilic-Interaction Chromatography
Authors: Repert Sarah , Matthes Sandra , Rozhon Wilfried
Published: September 2022

Arbutin, the glucoside of hydroquinone, exists in two isomers, α-arbutin and β-arbutin. The synthetic α isomer is mainly used as a skin brightening agent, while β-arbutin occurs naturally, for instance in bearberry, and is used in drugs for treatment of lower urinary tract infections and as a food supplement. Since both isomers can be harmful at high concentrations, methods for their quantification are required. Classically they have been determined by reversed-phase chromatography, but separation of both isomers is often unsatisfactory. Here we present a simple and reliable method for quantification of α- and β-arbutin based on hydrophilic-interaction chromatography. Prior to analysis, interfering compounds that would frequently be present in cosmetics and drugs, particularly biopolymers, were efficiently removed by precipitation with acetonitrile. In this paper, for separation, a Cyclobond I 2000 5 µm 250 × 4.6 mm column was employed as stationary phase and acetonitrile/water 92/8 (v/v) was used as an eluent at a flow rate of 0.8 mL min−1. For quantification, a UV detector operating at 284 nm was applied. Although analysis took less than 10 min, baseline separation of α- and β-arbutin was achieved. The response was highly linear (r > 0.999) and the method had, for both α- and β-arbutin, a LOD of 0.003% (w/w) and a LOQ of 0.009% (w/w). Moreover, the method showed excellent intra-day and inter-day repeatability with relative standard deviations in the range of 0.5% to 2.3% and 1.0% to 2.2%, respectively, with cosmetics, drugs and food supplements as samples.