bluuebunny/crossref_metadata_2025 huggingface dataset:
Management of Pulp Canal Obliteration—Systematic Review of Case Reports
Authors: Vinagre Alexandra , Castanheira Catarina , Messias Ana , Palma Paulo J. , Ramos João C.
Published: November 2021

Background and Objectives: This systematic review aimed to assess the literature focusing on the clinical management of traumatized teeth with Pulp Canal Obliteration (PCO) and propose an updated clinical decision-making algorithm. The present review follows the PRISMA guidelines and was registered on PROSPERO database (CRD42020200656). Materials and Methods: An electronic search strategy was performed in Pubmed, EBSCOhost and LILACS from inception to March 2021. Only anterior permanent teeth with PCO due to dental trauma were included. Regarding clinical approaches, only teeth managed with a “watchful waiting” approach, tooth bleaching or root canal treatment (RCT) were included. Quality assessment was performed using the JBI Critical Appraisal Tool for Case Reports. Results: Twenty case reports were selected, resulting in a total of 27 patients. The number of traumatized teeth diagnosed with PCO was 33. The “watchful waiting” approach was the most implemented clinical strategy. Discolored non-symptomatic PCO teeth were mostly managed with external bleaching. The prevalence of pulp necrosis (PN) was 36.4%. For teeth diagnosed with PN, non-surgical RCT was performed in 10 teeth and surgical RCT in one tooth. Guided endodontic technique was performed in six of those teeth. Conclusions: For discolored non-symptomatic PCO teeth, external bleaching is advocated and the RCT approach should not be implemented as a preventive intervention strategy. Symptomatic PCO teeth should follow regular endodontic treatment pathways. Clinical approach of teeth with PCO should follow a decision-making algorithm incorporating clinical and radiographic signs and patient-reported symptoms.
Ebstein Anomaly and Right Aortic Arch in Patient with Charge Syndrome
Authors: Lubaua Inguna , Teraudkalna Madara
Published: November 2021

Ebstein anomaly is a rare congenital heart disease characterized by a varying degree of anatomical and functional abnormalities of tricuspid valve and right ventricle. It often coexists with other congenital cardiac malformations. Up to 79–89% of patients with Ebstein anomaly have interatrial communication in the form of patent oval foramen or atrial septal defect and more than one-third has other types of cardiac malformations. Association between Ebstein anomaly and right aortic arch is extremely rare and only few cases have been described in the literature so far. Much rarer than with other cardiac malformations, Ebstein anomaly is associated with non-cardiac malformations or genetic syndromes. Several cases of association between Ebstein anomaly and Charge syndrome have been reported, nevertheless, Ebstein anomaly accounts for less than 1% of cardiac defects seen in patients with Charge syndrome. In this case report, we present a unique case of a patient with Charge syndrome where both Ebstein anomaly and right aortic arch are present. The diagnosis of Ebstein anomaly and right aortic arch was established prenatally. In the first years of life, the patient did not exhibit any remarkable symptoms. However, over time, deterioration of right ventricle function and increased tricuspid regurgitation were observed, requiring consideration of surgical treatment at the age of five. In addition, delay in physical, motor, and mental development was observed and thus, at the age of five, the patient was consulted by a medical geneticist and a gene panel to test for structural heart defects was ordered. The test showed a mutation in chromodomain helicase DNA binding protein 7 (CHD7) gene, which, along with clinical features, allowed to establish a diagnosis of Charge syndrome. To the best of the authors’ knowledge, this is the first case report of a patient with Charge syndrome, Ebstein anomaly, and right aortic arch that has been described in the literature.
Contact Allergy Induced by Mango (Mangifera indica): A Relevant Topic?
Authors: Berghea Elena Camelia , Craiu Mihai , Ali Selda , Corcea Sabina Loredana , Bumbacea Roxana Silvia
Published: November 2021

Introduction: The most common clinical manifestation of mango allergy is contact dermatitis, which can be localized or systemic. The sensitising substances that have long been suspected are alk(en)yl catechols and/or alk(en)yl resorcinols. Methods: We reviewed the original articles published on Pubmed, Embase and Cochrane Library before 15 September 2021, on the topic of contact allergy induced by mango and we synthesized the key data. Results: We found 12 case reports and four case series, with a total of 37 patients. Only seven of these cases were reported in patients from mango-cultivating countries, the other 30 were from countries where mango cultivation does not occur, and 26 were also from countries where poison ivy/oak are commonly found. We found that contact dermatitis may occur on the first exposure to mango due to previous sensitisation to urushiol-containing plants. The diagnosis was confirmed by patch testing in some of the cases. There was great heterogeneity between the reagents used. Conclusion: Mango fruit is frequently consumed, but mango induced contact dermatitis, the main hypersensitivity reaction induced by mango, is rare. Further data is necessary for a better understanding of sensitising substances and, consecutively, standardization of patch test reagents.
Correlations between PNPLA3 Gene Polymorphisms and NAFLD in Type 2 Diabetic Patients
Authors: Gavril Oana Irina , Arhire Lidia Iuliana , Gavril Radu Sebastian , Zota Madalina Ioana , Gherasim Andreea , Nita Otilia , Drugescu Andrei , Oprescu Andrei Catalin , Esanu Irina Mihaela , Mitu Florin , Graur Mariana , Mihalache Laura
Published: November 2021

Background and Objectives: Non-alcoholic fatty liver disease is a worldwide significant public health problem, particularly in patients with type 2 diabetes mellitus. Identifying possible risk factors for the disease is mandatory for a better understandingand management of this condition. Patatin-like phospholipase domain-containing protein 3 (PNPLA3) has been linked to the development and evolution of fatty liver but not to insulin resistance. The aim of this study isto evaluate the relationships between PNPLA3 and fatty liver, metabolic syndrome and subclinical atherosclerosis. Materials and Methods: The study group consisted of patients with type 2 diabetes mellitus without insulin treatment. The degree of liver fat loading was assessed by ultrasonography, and subclinical atherosclerosis was assessed using carotid intima-media thickness (CIMT). PNPLA3 rs738409 genotype determination was performed by high-resolution melting analysis that allowed three standard genotypes: CC, CG, and GG. Results: Among the 92 patients, more than 90% showed various degrees of hepatic steatosis, almost 62% presented values over the normal limit for the CIMT. The majority of the included subjects met the criteria for metabolic syndrome. Genotyping of PNPLA3 in 68 patients showed that the difference between subjects without steatosis and subjects with hepatic steatosis was due to the higher frequency of genotype GG. The CC genotype was the most common in the group we studied and was significantly more frequent in the group of subjects with severe steatosis; the GG genotype was significantly more frequent in subjects with moderate steatosis; the frequency of the CG genotype was not significantly different among the groups.When we divided the group of subjects into two groups: those with no or mild steatosis and those with moderate or severe steatosis it was shown that the frequency of the GG genotype was significantly higher in the group of subjects with moderate or severe steatosis. PNPLA3 genotypes were not associated with metabolic syndrome, subclinical atherosclerosis, or insulin resistance. Conclusions: Our results suggest that PNPLA3 does not independently influence cardiovascular risk in patients with type 2 diabetes mellitus. The hypothesis that PNPLA3 may have a cardioprotective effect requires future confirmation.
Comparison of General and Spinal Anaesthesia on Systemic Inflammatory Response in Patients Undergoing Total Knee Arthroplasty: A Propensity Score Matching Analysis
Authors: Kim Ha-Jung , Roychoudhury Priodarshi , Lohia Stuti , Kim Jin-Sun , Kim Hyung-Tae , Ro Young-Jin , Koh Won-Uk
Published: November 2021

Background and Objectives: Some of the postoperative complications following orthopaedic surgeries are associated with a systemic inflammatory response (SIR), which varies depending on the anaesthetic technique. We aimed to compare the effects of general and spinal anaesthesia on the SIR after total knee arthroplasty (TKA), based on C-reactive protein (CRP) levels, the platelet-lymphocyte ratio (PLR), and the neutrophil-lymphocyte ratio (NLR). Materials and Methods: Patients who underwent TKA between January 2014 and December 2018 were included. Electronic medical records of the patients were retrospectively reviewed and analysed. To reduce the impact of potential confounding factors, we performed propensity score matching according to the anaesthetic technique. Results: A total of 1311 TKA cases were analysed. After propensity score matching, the maximal CRP value and changes in CRP levels in the general anaesthesia group were higher than those in the spinal anaesthesia group. However, the maximal NLR and PLR and the changes in NLR and PLR were not different between the two groups. There were no differences in postoperative clinical outcomes. Conclusion: Spinal anaesthesia tended to induce a lower inflammatory response than general anaesthesia when considering CRP levels in patients undergoing TKA. However, the effects of anaesthetic techniques on the overall outcomes were not significant.
Removal of a Giant Cyst of the Left Ovary from a Pregnant Woman in the First Trimester by Laparoscopic Surgery under Spinal Anesthesia during the COVID-19 Pandemic
Authors: Major Attila Louis , Jumaniyazov Kudrat , Yusupova Shahnoza , Jabbarov Ruslan , Saidmamatov Olimjon , Mayboroda-Major Ivanna
Published: November 2021

This paper reports a case of a 21 year old primigravida at 6 weeks gestation, suffering from important abdominal pain, who was admitted into the medical center with a giant cyst of 28 × 20 cm on her left ovary. A torsion of the ovarian cyst was suspected. Her COVID-19 status was unknown. In view of the emergency of the situation and the COVID-19 pandemic, laparoscopy in spinal anesthesia was performed. The patient remained conscious during the surgical intervention and tolerated it well apart from a slight dyspnea, which was easily eliminated by changing her body position and decreasing the pneumoperitoneum pressure. The ovarian cyst was removed by enlarging the trocar incision. The patient recovered with neither incident nor pregnancy loss. COVID-19-related complications can induce adverse pregnancy outcomes. Under general anesthesia, patients with COVID-19 are at risk of severe pneumonia and of passing their infection to the medical personnel. To avoid such complications in non-specialized centers, laparoscopy should be performed in regional anesthesia. Laparoscopy in spinal anesthesia can be performed safely on pregnant patients by placing them in the proper position, using a low pneumoperitoneum, and monitoring the hemodynamics. During early pregnancy, general anesthesia induces a higher risk of teratogenic effects and of miscarriage.
Recent Advances of Ambient Mass Spectrometry Imaging and Its Applications in Lipid and Metabolite Analysis
Authors: Qi Keke , Wu Liutian , Liu Chengyuan , Pan Yang
Published: November 2021

Ambient mass spectrometry imaging (AMSI) has attracted much attention in recent years. As a kind of unlabeled molecular imaging technique, AMSI can enable in situ visualization of a large number of compounds in biological tissue sections in ambient conditions. In this review, the developments of various AMSI techniques are discussed according to one-step and two-step ionization strategies. In addition, recent applications of AMSI for lipid and metabolite analysis (from 2016 to 2021) in disease diagnosis, animal model research, plant science, drug metabolism and toxicology research, etc., are summarized. Finally, further perspectives of AMSI in spatial resolution, sensitivity, quantitative ability, convenience and software development are proposed.
Identification of Oocyst-Driven Toxoplasma gondii Infections in Humans and Animals through Stage-Specific Serology—Current Status and Future Perspectives
Authors: Álvarez García Gema , Davidson Rebecca , Jokelainen Pikka , Klevar Siv , Spano Furio , Seeber Frank
Published: November 2021

The apicomplexan zoonotic parasite Toxoplasma gondii has three infective stages: sporozoites in sporulated oocysts, which are shed in unsporulated form into the environment by infected felids; tissue cysts containing bradyzoites, and fast replicating tachyzoites that are responsible for acute toxoplasmosis. The contribution of oocysts to infections in both humans and animals is understudied despite being highly relevant. Only a few diagnostic antigens have been described to be capable of discriminating which parasite stage has caused an infection. Here we provide an extensive overview of the antigens and serological assays used to detect oocyst-driven infections in humans and animals according to the literature. In addition, we critically discuss the possibility to exploit the increasing knowledge of the T. gondii genome and the various ‘omics datasets available, by applying predictive algorithms, for the identification of new oocyst-specific proteins for diagnostic purposes. Finally, we propose a workflow for how such antigens and assays based on them should be evaluated to ensure reproducible and robust results.
Extensive Genome Exploration of Clostridium botulinum Group III Field Strains
Authors: Fillo Silvia , Giordani Francesco , Tonon Elena , Drigo Ilenia , Anselmo Anna , Fortunato Antonella , Lista Florigio , Bano Luca
Published: November 2021

In animals, botulism is commonly sustained by botulinum neurotoxin C, D or their mosaic variants, which are produced by anaerobic bacteria included in Clostridium botulinum group III. In this study, a WGS has been applied to a large collection of C. botulinum group III field strains in order to expand the knowledge on these BoNT-producing Clostridia and to evaluate the potentiality of this method for epidemiological investigations. Sixty field strains were submitted to WGS, and the results were analyzed with respect to epidemiological information and compared to published sequences. The strains were isolated from biological or environmental samples collected in animal botulism outbreaks which occurred in Italy from 2007 to 2016. The new sequenced strains belonged to subspecific groups, some of which were already defined, while others were newly characterized, peculiar to Italian strains and contained genomic features not yet observed. This included, in particular, two new flicC types (VI and VII) and new plasmids which widen the known plasmidome of the species. The extensive genome exploration shown in this study improves the C. botulinum and related species classification scheme, enriching it with new strains of rare genotypes and permitting the highest grade of discrimination among strains for forensic and epidemiological applications.
Effect of Cannabis Smoke Condensate on C. albicans Growth and Biofilm Formation
Authors: Tazi Neftaha , Pigeon Xavier , Mbuyi-Boisvert Jérôme Mulamba , Giret Simon , Béland François , Rouabhia Mahmoud
Published: November 2021

The most common use of cannabis is smoking. The oral ecosystem, among other constituents, can be deregulated by the presence of cannabis smoke in the oral cavity. We evaluated the effect of cannabis smoke condensate (CSC) on the behavior of Candida albicans, a common yeast found in the oral cavity. The yeast was first cultured with different concentrations of CSC, and its growth was evaluated. The transition from the blastospore to the hyphal form and the hyphae size were assessed after 3 and 6 h, along with biofilm formation after 72 h of contact with CSC. The response of C. albicans to oxidative (H2O2) stress was also examined. Our results show that CSC contained high amounts of THC (about 1055 ppm), CBN (63 ppm), and CBG (about 47 ppm). The presence of various concentrations of CSC in the culture medium increased C. albicans growth. CSC also contributed to increases in both the hyphal length and biofilm mass. Following oxidative stress (H2O2 at either 100 or 500 μM), CSC prevented the damaging effect of H2O2 on both C. albicans shape and growth. These findings support clinical observations demonstrating that cannabis may promote C. albicans growth and oral candidiasis.
Effect of Carbon Sources on Pyrite-Arsenopyrite Concentrate Bio-oxidation and Growth of Microbial Population in Stirred Tank Reactors
Authors: Bulaev Aleksandr , Nechaeva Aleksandra , Elkina Yuliya , Melamud Vitaliy
Published: November 2021

Tank bio-oxidation is a biohydrometallurgical technology widely used for metal recovery from sulfide concentrates. Since carbon availability is one of the key factors affecting microbial communities, it may also determine the rate of sulfide concentrate bio-oxidation. The goal of the present work was to evaluate the effect of carbon sources on the bio-oxidation of the concentrate containing 56% pyrite and 14% arsenopyrite at different temperatures (40 and 50 °C) in stirred tank reactors. CO2 was supplied into the pulp of the first reactor (about 0.01 L/min) and 0.02% (w/v) molasses was added to the pulp of the second one, and no additional carbon sources were used in the control tests. At 40 °C, 77% of pyrite and 98% of arsenopyrite were oxidized in the first reactor, in the second one, 73% of pyrite and 98% of arsenopyrite were oxidized, while in the control reactor, 27% pyrite and 93% arsenopyrite were oxidized. At 50 °C, in the first reactor, 94% of pyrite and 99% of arsenopyrite were oxidized, in the second one, 21% of pyrite and 94% of arsenopyrite were oxidized, while in the control reactor, 10% pyrite and 92% arsenopyrite were oxidized. The analysis of the microbial populations in the reactors revealed differences in the total number of microorganisms and their species composition. Thus, it was shown that the use of various carbon sources made it possible to increase the intensity of the concentrate bio-oxidation, since it affected microbial populations performing the process.
Genome-Scale Reconstruction of Microbial Dynamic Phenotype: Successes and Challenges
Authors: Panikov Nicolai S.
Published: November 2021

This review is a part of the SI ‘Genome-Scale Modeling of Microorganisms in the Real World’. The goal of GEM is the accurate prediction of the phenotype from its respective genotype under specified environmental conditions. This review focuses on the dynamic phenotype; prediction of the real-life behaviors of microorganisms, such as cell proliferation, dormancy, and mortality; balanced and unbalanced growth; steady-state and transient processes; primary and secondary metabolism; stress responses; etc. Constraint-based metabolic reconstructions were successfully started two decades ago as FBA, followed by more advanced models, but this review starts from the earlier nongenomic predecessors to show that some GEMs inherited the outdated biokinetic frameworks compromising their performances. The most essential deficiencies are: (i) an inadequate account of environmental conditions, such as various degrees of nutrients limitation and other factors shaping phenotypes; (ii) a failure to simulate the adaptive changes of MMCC (MacroMolecular Cell Composition) in response to the fluctuating environment; (iii) the misinterpretation of the SGR (Specific Growth Rate) as either a fixed constant parameter of the model or independent factor affecting the conditional expression of macromolecules; (iv) neglecting stress resistance as an important objective function; and (v) inefficient experimental verification of GEM against simple growth (constant MMCC and SGR) data. Finally, we propose several ways to improve GEMs, such as replacing the outdated Monod equation with the SCM (Synthetic Chemostat Model) that establishes the quantitative relationships between primary and secondary metabolism, growth rate and stress resistance, process kinetics, and cell composition.
The Gut Microbiome Alterations in Pediatric Patients with Functional Abdominal Pain Disorders
Authors: Abomoelak Bassam , Pemberton Veronica , Deb Chirajyoti , Campion Stephani , Vinson Michelle , Mauck Jennifer , Manipadam Joseph , Sudakaran Sailendharan , Patel Samit , Saps Miguel , Enshasy Hesham A. El , Varzakas Theodoros , Mehta Devendra I.
Published: November 2021

In this prospective longitudinal study, we enrolled 54 healthy pediatric controls and 28 functional abdominal pain disorders (FAPDs) pediatric patients (mean age was 11 ± 2.58 years old). Fecal samples and symptom questionnaires were obtained from all participants over the course of the year. Clinical data assessment showed that FAPDs patients were more symptomatic than the control group. Microbiome analysis revealed that Phylum Bacteroidetes was higher in FAPDs compared to the control group (p < 0.05), while phylum Firmicutes was lower in FAPDs (p < 0.05). In addition, Verrucomicrobiota was higher in the control group than the FAPDs (p < 0.05). At the genus level the relative abundance of 72 bacterial taxa showed statistically significant differences between the two groups and at the school term levels. In the control group, Shannon diversity, Observed_species, and Simpson were higher than the FAPDs (p < 0.05), and beta diversity showed differences between the two groups (PERMANOVA = 2.38; p = 0.002) as well. Using linear discriminant analysis effect size (LEfSe), Enterobacteriaceae family and Megaspherae showed increased abundances in vacation term (LDA score > 2.0, LEfSe, p < 0.05). In the FAPDs group, the severity of symptoms (T-scores) correlated with 11 different taxa bacterial relative abundances using Pearson′s correlation and linear regression analyses. Our data showed that gut microbiome is altered in FAPDs compared to the control. Differences in other metrics such as alpha- and beta diversity were also reported between the two groups. Correlation of the severity of the disease (T-scores) correlated with gut microbiome. Finally, our findings support the use of Faecalibacterium/Bacteroides ratio as a potential diagnostic biomarker for FAPDs.
Absence of Resistance Mutations in the Integrase Coding Region among ART-Experienced Patients in the Republic of the Congo
Authors: Got Ferdinand , Recordon-Pinson Patricia , Loubano-Voumbi Ghislain , Ebourombi Dagene , Blondot Marie-Lise , Metifiot Mathieu , Ondzotto Gontran , Andreola Marie-Line
Published: November 2021

Background: HIV infects around one hundred thousand patients in the Republic of the Congo. Approximately 25% of them receive an antiretroviral treatment; current first-line regimens include two NRTIs and one NNRTI, reverse transcriptase inhibitors. Recently, protease inhibitors (PIs) were also introduced as second-line therapy upon clinical signs of treatment failure. Due to the limited number of molecular characterizations and amount of drug resistance data available in the Republic of the Congo, this study aims to evaluate the prevalence of circulating resistance mutations within the pol region. Methods: HIV-positive, ART-experienced patients have been enrolled in four semi-urban localities in the Republic of the Congo. Plasma samples were collected, and viral RNA was extracted. The viral load for each patient was evaluated by RT-qPCR, following the general diagnostic procedures of the University Hospital of Bordeaux. Finally, drug resistance genotyping and phylogenetic analysis were conducted following Sanger sequencing of the pol region. Results: A high diversity of HIV-1 strains was observed with many recombinant forms. Drug resistance mutations in RT and PR genes were determined and correlated to HAART. Because integrase inhibitors are rarely included in treatments in the Republic of the Congo, the prevalence of integrase drug resistance mutations before treatment was also determined. Interestingly, very few mutations were observed. Conclusions: We confirmed a high diversity of HIV-1 in the Republic of the Congo. Most patients presented an accumulation of mutations conferring resistance against NRTIs, NNRTIs and PIs. Nonetheless, the absence of integrase mutations associated with drug resistance suggests that the introduction of integrase inhibitors into therapy will be highly beneficial to patients in the Republic of the Congo.
Insight into Potential Anticancer Activity of Algal Flavonoids: Current Status and Challenges
Authors: Ferdous Umme Tamanna , Balia Yusof Zetty Norhana
Published: November 2021

Flavonoids are some of the most precious phytochemicals, believed to be found largely in terrestrial plants. With the advancement of phytochemical research and marine bioprospecting, flavonoids have also been reported by the research of microalgae and macroalgae. High growth rate with minimal nutritional and growth requirement, saving arable land and rich metabolic profile make microalgae an excellent repertoire of novel anticancer compounds, such as flavonoids. In addition, marine algae, especially seaweeds contain different types of flavonoids which are assumed to have unique chemical structures and bioactivities than their terrestrial counterparts. Flavonoids are not only good antioxidants but also have the abilities to kill cancer cells by inducing apoptosis and autophagy. However, the study of the anticancer properties of flavonoids is largely limited to terrestrial plants. This review offers an insight into the distribution of different classes of flavonoids in eukaryotic microalgae, cyanobacteria and seaweeds with their possible anticancer activities. In addition, extraction and purification methods of these flavonoids have been highlighted. Finally, prospects and challenges to use algal flavonoids as anticancer agents have been discussed.
Deep Eutectic Solvents Application in Food Analysis
Authors: Ortega-Zamora Cecilia , González-Sálamo Javier , Hernández-Borges Javier
Published: November 2021

Current trends in Analytical Chemistry are focused on the development of more sustainable and environmentally friendly procedures. However, and despite technological advances at the instrumental level having played a very important role in the greenness of the new methods, there is still work to be done regarding the sample preparation stage. In this sense, the implementation of new materials and solvents has been a great step towards the development of “greener” analytical methodologies. In particular, the application of deep eutectic solvents (DESs) has aroused great interest in recent years in this regard, as a consequence of their excellent physicochemical properties, general low toxicity, and high biodegradability if they are compared with classical organic solvents. Furthermore, the inclusion of DESs based on natural products (natural DESs, NADESs) has led to a notable increase in the popularity of this new generation of solvents in extraction techniques. This review article focuses on providing an overview of the applications and limitations of DESs in solvent-based extraction techniques for food analysis, paying especial attention to their hydrophobic or hydrophilic nature, which is one of the main factors affecting the extraction procedure, becoming even more important when such complex matrices are studied.
Construction of a Luminescent Cadmium-Based Metal–Organic Framework for Highly Selective Discrimination of Ferric Ions
Authors: Xu Li-Li , Zhang Qiu-Feng , Wang Dong , Wu Guang-Wei , Cai Hong
Published: November 2021

Fluorescent metal–organic frameworks (MOFs) are ideal materials for sensors because of their adjustable pore size and functional groups, which provide them with favorable metal ion selective recognition. In this paper, a new cadmium-based MOF was synthesized using Cd(NO3)2·4H2O and 3,3′,5,5′-biphenyltetracarboxylic acid by solvothermal method. CdBPTC owned three types of channels with dimensions of approximately 8.4 × 8.3 Å, 6.0 × 5.2 Å, 9.7 × 8.4 Å along a, b, and c axis, respectively. This MOF has high selectivity to ferric ions and shows excellent anti-inference ability toward many other cations. The results indicate that the fluorescence quenching efficiency of CdBPTC is close to 100% when the concentration of Fe3+ reaches 1.0 × 10−3 mol·L−1. Moreover, the luminescent intensity at 427 nm presents a linear relationship at a concentration range of 2.0 × 10−4~7.0 × 10−4 mol·L−1, which can be quantitatively expressed by the linear Stern–Volmer equation I0/I = 8489 [Fe3+] − 0.1400, which is comparable to the previously reported better-performing materials. Competitive energy absorption and ion exchange may be responsible for the variation in fluorescence intensity of CdBPTC in different Fe3+ concentrations.
Insight into Biomass Upgrade: A Review on Hydrogenation of 5-Hydroxymethylfurfural (HMF) to 2,5-Dimethylfuran (DMF)
Authors: Endot Nor Azam , Junid Ramli , Jamil Mohamad Shazwan Shah
Published: November 2021

Recent developments in the transformation of biobased 5-hydroxymethylfurfural (HMF) into a potential liquid fuel, 2,5-dimethylfuran (DMF), are summarised. This review focuses briefly on the history of HMF conversion to DMF in terms of the feedstock used and emphasises the ideal requirements in terms of the catalytic properties needed in HMF transformation into DMF. The recent state of the art and works on HMF transformation into DMF are discussed in comparison to noble metals and non-noble metals as well as bimetallic catalysts. The effect of the support used and the reaction conditions are also discussed. The recommendations for future work and challenges faced are specified.
Synthesis, Structure, and Photophysical Properties of Yellow-Green and Blue Photoluminescent Dinuclear and Octanuclear Copper(I) Iodide Complexes with a Disilanylene-Bridged Bispyridine Ligand
Authors: Nakae Toyotaka , Miyabe Hiroto , Nishio Masaki , Yamada Teppei , Yamanoi Yoshinori
Published: November 2021

The synthesis, structural, and photophysical investigations of CuI complexes with a disilanylene-bridged bispyridine ligand 1 are herein presented. Dinuclear (2) and ladder-like (3) octanuclear copper(I) complexes were straightforwardly prepared by exactly controlling the ratio of CuI/ligand 1. Single-crystal X-ray analysis confirmed that dinuclear complex 2 had no apparent π…π stacking whereas octanuclear complex 3 had π…π stacking in the crystal packing. In the solid state, the complexes display yellow-green (λem = 519 nm, Φ = 0.60, τ = 11 µs, 2) and blue (λem = 478 nm, Φ = 0.04, τ = 2.6 µs, 3) phosphorescence, respectively. The density functional theory calculations validate the differences in their optical properties. The difference in the luminescence efficiency between 2 and 3 is attributed to the presence of π…π stacking and the different luminescence processes.
The Impact of Selected Essential Oils Applied to Non-Woven Viscose on Bacteria That Cause Lower Urinary Tract Infections—Preliminary Studies
Authors: Frydrysiak Emilia , Kunicka-Styczyńska Alina , Śmigielski Krzysztof , Frydrysiak Michał
Published: November 2021

Inflammation of the lower urinary tract is a very common problem, which occurs particularly in women. A concept of a biotextronics system for preventive and support treatment of lower urinary tract inflammations was presented. The system includes a non-woven viscose insert for essential oils application. The oils were deposited on the non-woven viscose and incubated in the temperature of 37 °C and served a model for their action in the vapor phase as the element of the biotextronics system. The essential oils used in the research were the following: chamomile (Matricaria chamomilla L.), sage (Salvia officinalis L. and Salvia lavandulaefolia), juniper (Juniperus communis L.), thyme (Thymus vulgaris L.), and mixtures of chamomile oil with oils of each sage species in a 1:1 ratio. The oils were tested against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus epidermidis, Staphylococcus saprophyticus, and Enterococcus faecalis. The best inhibitory effect in vapor phase was noted for chamomile essential oil at the lowest concentration (0.054 µL/cm3). Both mixtures of chamomile and sage acted antagonistically, lowering the antibacterial activity of the individual oils applied solely. Juniper and Salvia officinalis essential oils at the concentrations tested increased the growth of at least one of the bacteria tested. Salvia lavandulaefolia Vahl. essential oil inhibited all bacteria, only at the concentration 0.214 µL/cm3. The thyme oil, at the concentration 0.054 µL/cm3, reduced the growth of all bacterial species tested. Chamomile and thyme essential oils were chosen for further research in the biotextronics pantiliner system.
Application of UHPLC Fingerprints Combined with Chemical Pattern Recognition Analysis in the Differentiation of Six Rhodiola Species
Authors: Ma Didi , Wang Lijun , Jin Yibao , Gu Lifei , Yu Xiean , Xie Xueqing , Yin Guo , Wang Jue , Bi Kaishun , Lu Yi , Wang Tiejie
Published: November 2021

Rhodiola, especially Rhodiola crenulate and Rhodiola rosea, is an increasingly widely used traditional medicine or dietary supplement in Asian and western countries. Because of the phytochemical diversity and difference of therapeutic efficacy among Rhodiola species, it is crucial to accurately identify them. In this study, a simple and efficient method of the classification of Rhodiola crenulate, Rhodiola rosea, and their confusable species (Rhodiola serrata, Rhodiola yunnanensis, Rhodiola kirilowii and Rhodiola fastigiate) was established by UHPLC fingerprints combined with chemical pattern recognition analysis. The results showed that similarity analysis and principal component analysis (PCA) could not achieve accurate classification among the six Rhodiola species. Linear discriminant analysis (LDA) combined with stepwise feature selection exhibited effective discrimination. Seven characteristic peaks that are responsible for accurate classification were selected, and their distinguishing ability was successfully verified by partial least-squares discriminant analysis (PLS-DA) and orthogonal partial least-squares discriminant analysis (OPLS-DA), respectively. Finally, the components of these seven characteristic peaks were identified as 1-(2-Hydroxy-2-methylbutanoate) β-D-glucopyranose, 4-O-glucosyl-p-coumaric acid, salidroside, epigallocatechin, 1,2,3,4,6-pentagalloyglucose, epigallocatechin gallate, and (+)-isolarisiresinol-4′-O-β-D-glucopyranoside or (+)-isolarisiresinol-4-O-β-D-glucopyranoside, respectively. The results obtained in our study provided useful information for authenticity identification and classification of Rhodiola species.
Resveratrol against Cardiac Fibrosis: Research Progress in Experimental Animal Models
Authors: Yu Dongmin , Tang Zhixian , Li Ben , Yu Junjian , Li Wentong , Liu Ziyou , Tian Chengnan
Published: November 2021

Cardiac fibrosis is a heterogeneous disease, which is characterized by abundant proliferation of interstitial collagen, disordered arrangement, collagen network reconstruction, increased cardiac stiffness, and decreased systolic and diastolic functions, consequently developing into cardiac insufficiency. With several factors participating in and regulating the occurrence and development of cardiac fibrosis, a complex molecular mechanism underlies the disease. Moreover, cardiac fibrosis is closely related to hypertension, myocardial infarction, viral myocarditis, atherosclerosis, and diabetes, which can lead to serious complications such as heart failure, arrhythmia, and sudden cardiac death, thus seriously threatening human life and health. Resveratrol, with the chemical name 3,5,4′-trihydroxy-trans-stilbene, is a polyphenol abundantly present in grapes and red wine. It is known to prevent the occurrence and development of cardiovascular diseases. In addition, it may resist cardiac fibrosis through a variety of growth factors, cytokines, and several cell signaling pathways, thus exerting a protective effect on the heart.
Assessing HDL Metabolism in Subjects with Elevated Levels of HDL Cholesterol and Coronary Artery Disease
Authors: Hancock-Cerutti William , Millar John S. , Valentini Silvia , Liu Jason , Billheimer Jeffrey T. , Rader Daniel J. , Cuchel Marina
Published: November 2021

High-density lipoprotein cholesterol (HDL-C) is thought to be atheroprotective yet some patients with elevated HDL-C levels develop cardiovascular disease, possibly due to the presence of dysfunctional HDL. We aimed to assess the metabolic fate of circulating HDL particles in patients with high HDL-C with and without coronary artery disease (CAD) using in vivo dual labeling of its cholesterol and protein moieties. We measured HDL apolipoprotein (apo) A-I, apoA-II, free cholesterol (FC), and cholesteryl ester (CE) kinetics using stable isotope-labeled tracers (D3-leucine and 13C2-acetate) as well as ex vivo cholesterol efflux to HDL in subjects with (n = 6) and without (n = 6) CAD that had HDL-C levels >90th percentile. Healthy controls with HDL-C within the normal range (n = 6) who underwent the same procedures were used as the reference. Subjects with high HDL-C with and without CAD had similar plasma lipid levels and similar apoA-I, apoA-II, HDL FC, and CE pool sizes with no significant differences in fractional clearance rates (FCRs) or production rates (PRs) of these components between groups. Subjects with high HDL-C with and without CAD also had similar basal and cAMP-stimulated ex vivo cholesterol efflux to HDL. When all subjects were considered (n = 18), unstimulated non-ABCA1-mediated efflux (but not ABCA1-specific efflux) was correlated positively with apoA-I production (r = 0.552, p = 0.017) and HDL FC and CE pool sizes, and negatively with the fractional clearance rate of FC (r = −0.759, p = 4.1 × 10−4) and CE (r = −0.652, p = 4.57 × 10−3). Our data are consistent with the concept that ex vivo non-ABCA1 efflux capacity may correlate with slower in vivo turnover of HDL cholesterol moieties. The use of a dual labeling protocol provided for the first time the opportunity to assess the association of ex vivo cholesterol efflux capacity with in vivo HDL cholesterol metabolic parameters.
NHC Polymeric Particles Obtained by Self-Assembly and Click Approach of Calix[4]Arene Amphiphiles as Support for Catalytically Active Pd Nanoclusters
Authors: Burilov Vladimir , Mironova Diana , Sultanova Elsa , Garipova Ramila , Evtugyn Vladimir , Solovieva Svetlana , Antipin Igor
Published: November 2021

A new polymeric NHC carrier was synthesized by sequential supramolecular self-assembly and copper-catalyzed azide-alkyne cycloaddition (CuAAC) of amphiphilic imidazolium calix[4]arenes with octyl lipophilic fragments. Obtained polytriazole-imidazolium particles were found as monodisperse submicron particles, with the average diameter of 236 ± 34 nm and average molecular weight of 1380 ± 96 kDa. Successful CuAAC polymerization has been proved using IR spectroscopy and high-resolution ESI mass spectrometry. Polymeric particles, as well as aggregates made from precursor macrocycles, were decorated by Pd clusters (2 nm) for further catalytic investigations. Pd nanoclusters, supported on the polymeric surface, were found highly catalytically active in the model reduction of p-nitrophenol, giving reaction rates an order of magnitude higher compared to literature examples. The reaction was recycled using the same catalyst five times without any loss of activity.
Chiral Aminoalcohols and Squaric Acid Amides as Ligands for Asymmetric Borane Reduction of Ketones: Insight to In Situ Formed Catalytic System by DOSY and Multinuclear NMR Experiments
Authors: Nikolova Yana , Dobrikov Georgi M. , Petkova Zhanina , Shestakova Pavletta
Published: November 2021

A series of squaric acid amides (synthesized in 66–99% isolated yields) and a set of chiral aminoalcohols were comparatively studied as ligands in a model reaction of reduction of α-chloroacetophenone with BH3•SMe2. In all cases, the aminoalcohols demonstrated better efficiency (up to 94% ee), while only poor asymmetric induction was achieved with the corresponding squaramides. A mechanistic insight on the in situ formation and stability at room temperature of intermediates generated from ligands and borane as possible precursors of the oxazaborolidine-based catalytic system has been obtained by 1H DOSY and multinuclear 1D and 2D (1H, 10/11B, 13C, 15N) NMR spectroscopy of equimolar mixtures of borane and selected ligands. These results contribute to better understanding the complexity of the processes occurring in the reaction mixture prior to the possible oxazaborolidine formation, which play a crucial role on the degree of enantioselectivity achieved in the borane reduction of α-chloroacetophenone.
Re(I) Complexes as Backbone Substituents and Cross-Linking Agents for Hybrid Luminescent Polysiloxanes and Silicone Rubbers
Authors: Baranovskii Egor M. , Khistiaeva Victoria V. , Deriabin Konstantin V. , Petrovskii Stanislav K. , Koshevoy Igor O. , Kolesnikov Ilya E. , Grachova Elena V. , Islamova Regina M.
Published: November 2021

This study focuses on the synthesis of hybrid luminescent polysiloxanes and silicone rubbers grafted by organometallic rhenium(I) complexes using Cu(I)-catalyzed azido-alkyne cycloaddition (CuAAC). The design of the rhenium(I) complexes includes using a diimine ligand to create an MLCT luminescent center and the introduction of a triple C≡C bond on the periphery of the ligand environment to provide click-reaction capability. Poly(3-azidopropylmethylsiloxane-co-dimethylsiloxane) (N3-PDMS) was synthesized for incorporation of azide function in polysiloxane chain. [Re(CO)3(MeCN)(5-(4-ethynylphenyl)-2,2′-bipyridine)]OTf (Re1) luminescent complex was used to prepare a luminescent copolymer with N3-PDMS (Re1-PDMS), while [Re(CO)3Cl(5,5′-diethynyl-2,2′-bipyridine)] (Re2) was used as a luminescent cross-linking agent of N3-PDMS to obtain luminescent silicone rubber (Re2-PDMS). The examination of photophysical properties of the hybrid polymer materials obtained show that emission profile of Re(I) moiety remains unchanged and metallocenter allows to control the creation of polysiloxane-based materials with specified properties.
Ultralight, Ultraflexible, Anisotropic, Highly Thermally Conductive Graphene Aerogel Films
Authors: Liu Zheng , Wang Qinsheng , Hou Linlin , Liu Yingjun , Li Zheng
Published: November 2021

Graphene aerogels have attracted much attention as a promising material for various applications. The unusually high intrinsic thermal conductivity of individual graphene sheets makes an obvious contrast with the thermal insulating performance of assembled 3D graphene materials. We report the preparation of anisotropy 3D graphene aerogel films (GAFs) made from tightly packed graphene films using a thermal expansion method. GAFs with different thicknesses and an ultimate low density of 4.19 mg cm−3 were obtained. GAFs show high anisotropy on average cross-plane thermal conductivity (K⊥) and average in-plane thermal conductivity (K||). Additionally, uniaxially compressed GAFs performed a large elongation of 11.76% due to the Z-shape folding of graphene layers. Our results reveal the ultralight, ultraflexible, highly thermally conductive, anisotropy GAFs, as well as the fundamental evolution of macroscopic assembled graphene materials at elevated temperature.
Resolution of P-Sterogenic 1-Phenylphosphin-2-en-4-one 1-Oxide into Two Enantiomers by (R,R)-TADDOL and Conformational Diversity of the Phosphinenone Ring and TADDOL in the Crystal State
Authors: Łastawiecka Elżbieta , Włodarczyk Adam , Kozioł Anna E. , Małuszyńska Hanna , Pietrusiewicz K. Michał
Published: November 2021

The resolution of racemic 1-phenylphosphin-2-en-4-one 1-oxide (2), was achieved through the fractional crystallization of its diastereomeric complexes with (4R,5R)-(−)-2,2-dimethyl -α,α,α′,α′-tetraphenyl-dioxolan-4,5-dimethanol (R,R-TADDOL) followed by the liberation of the individual enantiomers of 2 by flash chromatography on silica gel columns. The resolution process furnished the two enantiomers of 2 of 99.1 and 99.9% e.e. at isolated yields of 62 and 59% (counted for the single enantiomer), respectively. The absolute configurations of the two enantiomers were established by means of X-ray crystallography of their diastereomerically pure complexes, i.e., (R)-2•R,R)-TADDOL and (S)-2•(R,R)-TADDOL. The structural analysis revealed that in the (R)-2•(R,R)-TADDOL complex, the P-phenyl substituent occupied a pseudoequatorial position, whereas in (S)-2•(R,R)-TADDOL, it appeared in both the pseudoequatorial and the pseudoaxial positions in four symmetrically independent molecules. Concurrent conformational changes of the TADDOL molecules were best described by the observed changes of a pseudo-torsional CO...OC angle that could be considered as a possible measure of TADDOL conformation in its receptor–ligand complexes. The structural analysis of the (R,R)-TADDOL molecule revealed that efficiency of this compound for use as an effective resolving factor comes from its ability to flexibly fit its structure to both enantiomers of a ligand molecule, producing a rare case of resolution for both pure enantiomers with one chiral separating agent. The resolved (R)-2 was used to assign the absolute configuration of a recently described (−)-1-phenylphosphin-2-en-4-one 1-sulfide by chemical correlation. In addition, an attempted stereoretentive reduction of (R)-2 by PhSiH3 at 60 °C revealed an unexpectedly low barrier for P-inversion in 1-phenylphosphin-2-en-4-one.
Multi-Elemental Composition Data Handled by Chemometrics for the Discrimination of High-Value Italian Pecorino Cheeses
Authors: Di Donato Francesca , Foschi Martina , Vlad Nadia , Biancolillo Alessandra , Rossi Leucio , D’Archivio Angelo Antonio
Published: November 2021

The multi-elemental composition of three typical Italian Pecorino cheeses, Protected Designation of Origin (PDO) Pecorino Romano (PR), PDO Pecorino Sardo (PS) and Pecorino di Farindola (PF), was determined by Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES). The ICP-OES method here developed allowed the accurate and precise determination of eight major elements (Ba, Ca, Fe, K, Mg, Na, P, and Zn). The ICP-OES data acquired from 17 PR, 20 PS, and 16 PF samples were processed by unsupervised (Principal Component Analysis, PCA) and supervised (Partial Least Square-Discriminant Analysis, PLS-DA) multivariate methods. PCA revealed a relatively high variability of the multi-elemental composition within the samples of a given variety, and a fairly good separation of the Pecorino cheeses according to the geographical origin. Concerning the supervised classification, PLS-DA has allowed obtaining excellent results, both in calibration (in cross-validation) and in validation (on the external test set). In fact, the model led to a cross-validated total accuracy of 93.3% and a predictive accuracy of 91.3%, corresponding to 2 (over 23) misclassified test samples, indicating the adequacy of the model in discriminating Pecorino cheese in accordance with its origin.