bluuebunny/crossref_metadata_2025 huggingface dataset:
Polystyrene Degradation by Exiguobacterium sp. RIT 594: Preliminary Evidence for a Pathway Containing an Atypical Oxygenase
Authors: Parthasarathy Anutthaman , Miranda Renata Rezende , Eddingsaas Nathan C. , Chu Jonathan , Freezman Ian M. , Tyler Anna C. , Hudson André O.
Published: August 2022

The widespread use of plastics has led to their increasing presence in the environment and subsequent pollution. Some microorganisms degrade plastics in natural ecosystems and the associated metabolic pathways can be studied to understand the degradation mechanisms. Polystyrene (PS) is one of the more recalcitrant plastic polymers that is degraded by only a few bacteria. Exiguobacterium is a genus of Gram-positive poly-extremophilic bacteria known to degrade PS, thus being of biotechnological interest, but its biochemical mechanisms of degradation have not yet been elucidated. Based solely on genome annotation, we initially proposed PS degradation by Exiguobacterium sp. RIT 594 via depolymerization and epoxidation catalyzed by a ring epoxidase. However, Fourier transform infrared (FTIR) spectroscopy analysis revealed an increase of carboxyl and hydroxyl groups with biodegradation, as well as of unconjugated C-C double bonds, both consistent with dearomatization of the styrene ring. This excludes any aerobic pathways involving side chain epoxidation and/or hydroxylation. Subsequent experiments confirmed that molecular oxygen is critical to PS degradation by RIT 594 because degradation ceased under oxygen-deprived conditions. Our studies suggest that styrene breakdown by this bacterium occurs via the sequential action of two enzymes encoded in the genome: an orphan aromatic ring-cleaving dioxygenase and a hydrolase.
Regulation of Host Immune Response against Enterobacter cloacae Proteins via Computational mRNA Vaccine Design through Transcriptional Modification
Authors: Naveed Muhammad , Jabeen Khizra , Naz Rubina , Mughal Muhammad Saad , Rabaan Ali A. , Bakhrebah Muhammed A. , Alhoshani Fahad M. , Aljeldah Mohammed , Shammari Basim R. Al , Alissa Mohammed , Sabour Amal A. , Alaeq Rana A. , Alshiekheid Maha A. , Garout Mohammed , Almogbel Mohammed S. , Halwani Muhammad A. , Turkistani Safaa A. , Ahmed Naveed
Published: August 2022

Enterobacter cloacae is mainly responsible for sepsis, urethritis, and respiratory tract infections. These bacteria may affect the transcription of the host and particularly their immune system by producing changes in their epigenetics. In the present study, four proteins of Enterobacter cloacae were used to predict the epitopes for the construction of an mRNA vaccine against Enterobacter cloacae infections. In order to generate cellular and humoral responses, various immunoinformatic-based approaches were used for developing the vaccine. The molecular docking analysis was performed for predicting the interaction among the chosen epitopes and corresponding MHC alleles. The vaccine was developed by combining epitopes (thirty-three total), which include the adjuvant Toll-like receptor-4 (TLR4). The constructed vaccine was analyzed and predicted to cover 99.2% of the global population. Additionally, in silico immunological modeling of the vaccination was also carried out. When it enters the cytoplasm of the human (host), the codon is optimized to generate the translated mRNA efficiently. Moreover, the peptide structures were analyzed and docked with TLR-3 and TLR-4. A dynamic simulation predicted the stability of the binding complex. The assumed construct was considered to be a potential candidate for a vaccine against Enterobacter cloacae infections. Hence, the proposed construct is suitable for in vitro analyses to validate its effectiveness.
Clostridium difficile Induced Inflammasome Activation and Coagulation Derangements
Authors: Mattana Marta , Tomasello Riccardo , Cammarata Claudia , Di Carlo Paola , Fasciana Teresa , Giordano Giulio , Lucchesi Alessandro , Siragusa Sergio , Napolitano Mariasanta
Published: August 2022

C. difficile enterocolitis (CDAC) is the most common hospital infection, burdened by an increased incidence of coagulation-related complications such as deep vein thrombosis (DVT) and disseminated intravascular coagulation (DIC) as well as a significant sepsis-related mortality. In this review, we analyzed the available data concerning the correlation between coagulation complications related to C. difficile infection (CDI) and inflammasome activation, in particular the pyrin-dependent one. The little but solid available preclinical and clinical evidence shows that inflammasome activation increases the risk of venous thromboembolism (VTE). As proof of this, it has been observed that in vitro inhibition of the molecules (e.g., tissue factor) mainly involved in coagulation activation could block the process. In vivo studies show that it could be possible to reduce the incidence of complications associated with C. difficile infection (CDI) and mortality due to a state of hypercoagulability. A personalized therapeutic approach to reduce the inflammatory activity and prevent thromboembolic complications could be preliminarily defined to reduce mortality.
Bio-Functional Natural Products in Edible Resources for Human Health and Beauty
Authors: Morikawa Toshio
Published: August 2022

Natural products remain important repositories of promising therapeutic candidates due to their rich chemical and biological diversity [...]
Radium and Lead Radioisotopes Composition of Sediment and Its Biogeochemical Implication in Polymetallic Nodule Area of Clario-Clipperton Zone
Authors: Lin Feng , Lin Cai , Yu Wen , Sun Xiuwu , Lin Hui
Published: August 2022

Radioactivity levels of 210Pb and 226Ra were detected in a sediment core obtained using a multi-corer from the polymetallic nodule area inside the Clarion-Clipperton Zone (CCZ), a contract area of the China Ocean Mineral Resources Association (COMR) in the eastern Pacific Ocean. The profile of excess 210Pb (210Pbex) shows that the specific activity of 210Pbex has three parts with different distributions at depths of 0–16 cm (I), 17–36 cm (II), and 37–48 cm (III). When the I section of nonlocal mixing was excluded, using a steady-state diffusion mode, the bioturbation coefficients of the core were estimated to be 24.2 cm2/a at 17–36 cm deep and 5.9 cm2/a at 37–48 cm deep, which were greater compared to previously published results. This is most likely owing to bioturbations caused by various organism species in the two sections.
The Effect of κ-Carrageenan Proportion and Hot Water Extract of the Pluchea indica Less Leaf Tea on the Quality and Sensory Properties of Stink Lily (Amorphophallus muelleri) Wet Noodles
Authors: Widyawati Paini Sri , Suseno Thomas Indarto Putut , Widjajaseputra Anna Ingani , Widyastuti Theresia Endang Widoeri , Moeljadi Vincentia Wilhelmina , Tandiono Sherina
Published: August 2022

The study aims to determine the effect of the proportion of κ-carrageenan and the hot water extract of pluchea leaf tea on the quality and sensory properties of stink lily wet noodles. The research design is a randomized block design with two factors, i.e., the difference in the proportion of κ-carrageenan (K) (0, 1, 2, and 3% w/w) and the addition of the hot water extract of the Pluchea indica Less leaf tea (L) (0, 15, and 30% w/v), with 12 treatment levels (K0L0, K0L1, K0L2, K1L0, K1L1, K1L2, K2L0, K2L1, K2L2, K3L0, K3L1, K3L2). The data are analyzed by the ANOVA at p < 5% and continued with the Duncan’s multiple range test at p < 5%, and the best treatment was determined by the spider web method based on sensory assay by a hedonic method. The proportions of κ-carrageenan and the concentration of pluchea tea extract had a significant effect on the cooking quality and sensory properties. However, the interaction of the two factors affected the swelling index, yellowness (b*), chroma (C), hue (h), total phenol content (TPC), total flavonoid content (TFC), and DPPH free radical scavenging assay (DPPH). The best treatment of wet noodles was K2L0, with a preference score of 15.8. The binding of κ-carrageenan and phenolic compounds to make a networking structure by intra- and inter-disulfide bind between glucomannan and gluten was thought to affect the cooking quality, sensory properties, bioactive compounds (TPC and TFC), and DPPH.
Corilagin: A Novel Antivirulence Strategy to Alleviate Streptococcus pneumoniae Infection by Diminishing Pneumolysin Oligomers
Authors: Sheng Qiushuang , Hou Xiaoning , Wang Nan , Liu Minda , Zhu Haoyu , Deng Xuming , Liang Xiaoying , Chi Gefu
Published: August 2022

Pneumolysin (PLY) is a significant virulence factor of Streptococcus pneumoniae (S. pneumoniae), able to break through the defense system of a host and mediate the occurrence of a series of infections. Therefore, PLY as the most ideal target to prevent S. pneumoniae infection has received more and more attention and research. Corilagin is a tannic acid that exhibits excellent inhibition of PLY oligomers without bacteriostatic activity to S. pneumoniae. Herein, hemolytic activity assays, cell viability tests and western blot experiments are executed to evaluate the antivirulence efficacy of corilagin against PLY in vitro. Colony observation, hematoxylin and eosin (H&E) staining and cytokines of bronchoalveolar lavage fluid (BALF) are applied to assess the therapeutic effect of corilagin in mice infected by S. pneumoniae. The results indicate the related genes of corilagin act mainly via enrichment in pathways associated with pneumonia disease. Furthermore, molecular docking and molecular dynamics simulations show that corilagin might bind with domains 3 and 4 of PLY and interfere with its hemolytic activity, which is further confirmed by the site-directed mutagenesis of PLY. Additionally, corilagin limits PLY oligomer production without impacting PLY expression in S. pneumoniae cultures. Moreover, corilagin effectively relieves PLY-mediated cell injury without any cytotoxicity, even then reducing the colony count in the lung and the levels of pro-inflammatory factors in BALF and remarkably improving lung lesions. All the results demonstrate that corilagin may be a novel strategy to cope with S. pneumoniae infection by inhibiting PLY oligomerization.
Polysaccharides as Carriers of Polyphenols: Comparison of Freeze-Drying and Spray-Drying as Encapsulation Techniques
Authors: Buljeta Ivana , Pichler Anita , Šimunović Josip , Kopjar Mirela
Published: August 2022

Polyphenols have received great attention as important phytochemicals beneficial for human health. They have a protective effect against cardiovascular disease, obesity, cancer and diabetes. The utilization of polyphenols as natural antioxidants, functional ingredients and supplements is limited due to their low stability caused by environmental and processing conditions, such as heat, light, oxygen, pH, enzymes and so forth. These disadvantages are overcome by the encapsulation of polyphenols by different methods in the presence of polyphenolic carriers. Different encapsulation technologies have been established with the purpose of decreasing polyphenol sensitivity and the creation of more efficient delivery systems. Among them, spray-drying and freeze-drying are the most common methods for polyphenol encapsulation. This review will provide an overview of scientific studies in which polyphenols from different sources were encapsulated using these two drying methods, as well as the impact of different polysaccharides used as carriers for encapsulation.
PI3K/mTOR Dual Inhibitor Pictilisib Stably Binds to Site I of Human Serum Albumin as Observed by Computer Simulation, Multispectroscopic, and Microscopic Studies
Authors: Yang Hongqin , Ma Yanjun , Zhang Hongjie , Ma Junyi
Published: August 2022

Pictilisib (GDC-0941) is a well-known dual inhibitor of class I PI3K and mTOR and is presently undergoing phase 2 clinical trials for cancer treatment. The present work investigated the dynamic behaviors and interaction mechanism between GDC-0941 and human serum albumin (HSA). Molecular docking and MD trajectory analyses revealed that GDC-0941 bound to HSA and that the binding site was positioned in subdomain IIA at Sudlow’s site I of HSA. The fluorescence intensity of HSA was strongly quenched by GDC-0941, and results showed that the HSA–GDC-0941 interaction was a static process caused by ground-state complex formation. The association constant of the HSA–GDC-0941 complex was approximately 105 M−1, reflecting moderate affinity. Thermodynamic analysis conclusions were identical with MD simulation results, which revealed that van der Waals interactions were the vital forces involved in the binding process. CD, synchronous, and 3D fluorescence spectroscopic results revealed that GDC-0941 induced the structural change in HSA. Moreover, the conformational change of HSA affected its molecular sizes, as evidenced by AFM. This work provides a useful research strategy for exploring the interaction of GDC-0941 with HSA, thus helping in the understanding of the transport and delivery of dual inhibitors in the blood circulation system.
Dehydrochlorination of PCDDs on SWCN-Supported Ni10 and Ni13 Clusters, a DFT Study
Authors: González Silvia , Porras Martha , Jimbo Arianna , Zambrano Cesar H.
Published: August 2022

Polychlorinated dibenzo-p-dioxins (PCDDs) are known to be a group of compounds of high toxicity for animals and, particularly, for humans. Given that the most common method to destroy these compounds is by high-temperature combustion, finding other routes to render them less toxic is of paramount importance. Taking advantage of the physisorption properties of nanotubes, we studied the reactions of atomic hydrogen on physisorbed PCDDs using DFT; likewise, we investigated the reaction of molecular hydrogen on PCDDs aided by Ni10 and Ni13 clusters adsorbed on single-wall carbon nanotubes. Because dihydrogen is an easily accessible reactant, we found these reactions to be quite relevant as dehydrohalogenation methods to address PCDD toxicity.
Detection of Atrazine and Its Metabolites in Natural Water Samples Using Photonic Molecularly Imprinted Sensors
Authors: Salahshoor Zahra , Ho Khanh-Van , Hsu Shu-Yu , Hossain Adel H. , Trauth Kathleen , Lin Chung-Ho , Fidalgo Maria
Published: August 2022

In a previous study, photonic-based molecularly imprinted polymers (MIPs) were fabricated using atrazine (ATZ) and its metabolites, desethylatrazine (DEA) and desisopropylatrazine (DIA), as templates in separate matrices. For the purposes of monitoring the abovementioned molecules in natural waters, the effect of natural waters—featuring ionic strength and natural organic matter (NOM) on atrazine MIP—were studied in this work, and the photonic MIP was implemented for monitoring the target molecules in natural water samples collected from land in nearby farms in northeast of Columbia MO. Non-imprinted polymers (NIP) were also fabricated and applied in the experiments as a control test. In presence of NaCl, CaCl2, and NOM, MIPs presented lower responses by 26%, higher responses by 23%, and higher responses by 35%, respectively. NIPs response in terms of an increase or decrease was consistent with those of MIPs, but only for a lower percentage. MIPs response in natural waters—which were characterized for their physicochemical characteristics such as conductivity, total organic carbon content, etc.—provided a good approximation of the real concentrations obtained from the LCMS instrument; in general, they showed a good concordance, although large discrepancies occurred for some samples, which can be related to reproducibility issues in the manufacturing process or the presence of unknown interfering compounds in the real samples.
Two New Picoline-Derived Meroterpenoids with Anti-Acetylcholinesterase Activity from Ascidian-Derived Fungus Amphichorda felina
Authors: Jiang Minghua , Guo Heng , Wu Qilin , Yuan Siwen , Liu Lan
Published: August 2022

Amphichoterpenoids D (1) and E (2), two new picoline-derived meroterpenoids with a rare 6/6/6 tricyclic pyrano[3,2-c]pyridinyl-γ-pyranone scaffold, were isolated from the ascidian-derived fungus Amphichorda felina SYSU-MS7908. Their structures, including the absolute configurations, were established by extensive spectroscopic methods (1D and 2D NMR and high-resolution mass spectrometry) and ECD calculations. Compounds 1 and 2 showed anti-acetylcholinesterase (anti-AChE) activities with IC50 values of 12.5 μM and 11.6 μM, respectively. The binding interactions between 1, 2, and AChE were investigated using molecular docking analyses.
Stability, Antioxidant Activity and Intestinal Permeation of Oleuropein Inclusion Complexes with Beta-Cyclodextrin and Hydroxypropyl-Beta-Cyclodextrin
Authors: Liu Hui , Luo Jinhua , Yang Ping , Yang Xiulan , Yan Jun , Yao Qian
Published: August 2022

Compared to beta-cyclodextrins (beta-CD), hydroxypropyl-beta-cyclodextrins (HP-beta-CD) are a more popular material used to prepare inclusion complexes due to their superior solubility and intestinal absorption. In this study, oleuropein (OL) inclusion complexes with beta-CD (beta-CD:OL) and HP-beta-CD (HP-beta-CD:OL) were prepared and the formation of inclusion complexes was validated by IR, PXRD, and DSC. A phase solubility test showed that the lgK (25 °C) and binding energy of beta-CD:OL and HP-beta-CD:OL was 2.32 versus 1.98, and −6.1 versus −24.66 KJ/mol, respectively. Beta-CD:OL exhibited a more powerful effect than HP-beta-CD:OL in protecting OL from degradation upon exposure to light, high temperature and high humidity. Molecular docking, peak intensity of carbonyls in IR, and ferric reducing power revealed that beta-CD:OL formed more hydrogen bonds with the unstable groups of OL. Both inclusion complexes significantly enhanced the solubility, intestinal permeation and antioxidant activity of OL (p < 0.05). Though HP-beta-CD:OL had higher solubility and intestinal absorption over beta-CD:OL, the difference was not significant (p > 0.05). The study implies that lower binding energy is not always associated with the higher stability of a complex. Beta-CD can protect a multiple-hydroxyl compound more efficiently than HP-beta-CD with the intestinal permeation comparable to HP-beta-CD complex.
Anisotropic Thermal Expansion and Electronic Structure of LiInSe2
Authors: Atuchin Victor V. , Isaenko Ludmila I. , Lobanov Sergei I. , Goloshumova Alina A. , Molokeev Maxim S. , Zhang Zhaoming , Zhang Xingyu , Jiang Xingxing , Lin Zheshuai
Published: August 2022

Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman–Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5–6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303–703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK−1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.
Sesquiterpenes from Artemisia annua and Their Cytotoxic Activities
Authors: Han Xiao , Chai Yao , Lv Cheng , Chen Qianqian , Liu Jinling , Wang Yongli , Chou Guixin
Published: August 2022

Artemisia annua is a well-known traditional Chinese medicine. Due to its highest antimalarial efficacy, China has a long history of cultivating A. annua, and it is used for “clearing heat and detoxicating”. Several, studies have shown that the A. annua extract exerts cytotoxicity. In order to clarify the basis of the cytotoxic effect of A. annua, 18 sesquiterpenes were isolated from the herb, including 2 new sesquiterpenes and 16 known analogues. The structures of new compounds were elucidated by comprehensive spectroscopic analyses, including HR-ESI-MS, NMR experiments, single-crystal X-ray, and DP4+ and electronic circular dichroism (ECD) calculations. Cytotoxic activity screening revealed three compounds that exhibited cytotoxicity in a dose-dependent manner. Additional exploration showed that compound 5 significantly inhibited the proliferation of CT26 and HCT116 cells and induced apoptosis of HCT116 cells after 24 h. These chemical constituents contributed to elucidating the mechanism of action of the cytotoxic activity of A. annua.
Anti-Alphaviral Alkaloids: Focus on Some Isoquinolines, Indoles and Quinolizidines
Authors: Sandenon Seteyen Anne-Laure , Girard-Valenciennes Emmanuelle , Septembre-Malaterre Axelle , Gasque Philippe , Guiraud Pascale , Sélambarom Jimmy
Published: August 2022

The discovery and the development of safe and efficient therapeutics against arthritogenic alphaviruses (e.g., chikungunya virus) remain a continuous challenge. Alkaloids are structurally diverse and naturally occurring compounds in plants, with a wide range of biological activities including beneficial effects against prominent pathogenic viruses and inflammation. In this short review, we discuss the effects of some alkaloids of three biologically relevant structural classes (isoquinolines, indoles and quinolizidines). Based on various experimental models (viral infections and chronic diseases), we highlight the immunomodulatory effects of these alkaloids. The data established the capacity of these alkaloids to interfere in host antiviral and inflammatory responses through key components (antiviral interferon response, ROS production, inflammatory signaling pathways and pro- and anti-inflammatory cytokines production) also involved in alphavirus infection and resulting inflammation. Thus, these data may provide a convincing perspective of research for the use of alkaloids as immunomodulators against arthritogenic alphavirus infection and induced inflammation.
Enantioselective Michael/Hemiketalization Cascade Reactions between Hydroxymaleimides and 2-Hydroxynitrostyrenes for the Construction of Chiral Chroman-Fused Pyrrolidinediones
Authors: Xie Dong-Hua , Niu Cheng , Du Da-Ming
Published: August 2022

In this paper, the organocatalytic asymmetric Michael addition/hemiketalization cascade reactions between hydroxymaleimides and 2-hydroxynitrostyrenes were developed, which provided a new protocol for building a chiral ring-fused chroman skeleton. This squaramide-catalyzed cascade reaction provided chiral chroman-fused pyrrolidinediones with three contiguous stereocenters in good to high yields (up to 88%), with excellent diastereoselectivities (up to >20:1 dr) and enantioselectivities (up to 96% ee) at −16 °C. Moreover, a scale-up synthesis was also carried out, and a possible reaction mechanism was proposed.
Gradient SERS Substrates with Multiple Resonances for Analyte Screening: Fabrication and SERS Applications
Authors: Mukherjee Ashutosh , Liu Quan , Wackenhut Frank , Dai Fang , Fleischer Monika , Adam Pierre-Michel , Meixner Alfred J. , Brecht Marc
Published: August 2022

Surface-enhanced Raman spectroscopy (SERS) provides a strong enhancement to an inherently weak Raman signal, which strongly depends on the material, design, and fabrication of the substrate. Here, we present a facile method of fabricating a non-uniform SERS substrate based on an annealed thin gold (Au) film that offers multiple resonances and gap sizes within the same sample. It is not only chemically stable, but also shows reproducible trends in terms of geometry and plasmonic response. Scanning electron microscopy (SEM) reveals particle-like and island-like morphology with different gap sizes at different lateral positions of the substrate. Extinction spectra show that the plasmonic resonance of the nanoparticles/metal islands can be continuously tuned across the substrate. We observed that for the analytes 1,2-bis(4-pyridyl) ethylene (BPE) and methylene blue (MB), the maximum SERS enhancement is achieved at different lateral positions, and the shape of the extinction spectra allows for the correlation of SERS enhancement with surface morphology. Such non-uniform SERS substrates with multiple nanoparticle sizes, shapes, and interparticle distances can be used for fast screening of analytes due to the lateral variation of the resonances within the same sample.
Graphene-Delivered Insecticides against Cotton Bollworm
Authors: Chen Zhiwen , Zhao Jianguo , Liu Zehui , Bai Xiuli , Li Weijia , Guan Zhifang , Zhou Ming , Zhu Hongwei
Published: August 2022

Nanopesticides can facilitate controlled release kinetics and efficiently enhance the permeability of active ingredients to reduce the dosage and loss of pesticides. To clarify the synergistic mechanism of graphene–insecticide nanocarriers against cotton bollworm, treatment groups, namely, control, graphene (G), insecticide (lambda-cyhalothrin (Cyh) and cyfluthrin (Cyf)), and graphene-delivered insecticide groups were used to treat the third-instar larvae of cotton bollworm. The variations in phenotypes, namely, the body length, body weight, and mortality of the cotton bollworm, were analyzed. The results show that graphene enhances the insecticidal activity of lambda-cyhalothrin and cyfluthrin against cotton bollworm. The two graphene-delivered insecticides with optimal compositions (3:1) had the strongest inhibitory effects and the highest mortality rates, with the fatality rates for the 3/1 Cyh/G and Cyf/G mixture compositions being 62.91% and 38.89%, respectively. In addition, the 100 μg/mL Cyh/G mixture had the greatest inhibitory effect on cotton bollworm, and it decreased the body length by 1.40 mm, decreased the weight by 1.88 mg, and had a mortality rate of up to 61.85%. The 100 and 150 μg/mL Cyh/G mixtures achieved the same mortality rate as that of lambda-cyhalothrin, thus reducing the use of the insecticide by one-quarter. The graphene-delivered insecticides could effectively destroy the epicuticle spine cells of the cotton bollworm by increasing the permeability and, thus, the toxicity of the insecticides.
Dependence of Quantum Dot Toxicity In Vitro on Their Size, Chemical Composition, and Surface Charge
Authors: Sukhanova Alyona , Bozrova Svetlana , Gerasimovich Evgeniia , Baryshnikova Maria , Sokolova Zinaida , Samokhvalov Pavel , Guhrenz Chris , Gaponik Nikolai , Karaulov Alexander , Nabiev Igor
Published: August 2022

Semiconductor nanocrystals known as quantum dots (QDs) are of great interest for researchers and have potential use in various applications in biomedicine, such as in vitro diagnostics, molecular tracking, in vivo imaging, and drug delivery. Systematic analysis of potential hazardous effects of QDs is necessary to ensure their safe use. In this study, we obtained water-soluble core/shell QDs differing in size, surface charge, and chemical composition of the core. All the synthesized QDs were modified with polyethylene glycol derivatives to obtain outer organic shells protecting them from degradation. The physical and chemical parameters were fully characterized. In vitro cytotoxicity of the QDs was estimated in both normal and tumor cell lines. We demonstrated that QDs with the smallest size had the highest in vitro cytotoxicity. The most toxic QDs were characterized by a low negative surface charge, while positively charged QDs were less cytotoxic, and QDs with a greater negative charge were the least toxic. In contrast, the chemical composition of the QD core did not noticeably affect the cytotoxicity in vitro. This study provides a better understanding of the influence of the QD parameters on their cytotoxicity and can be used to improve the design of QDs.
Synthesis, Characterization and Broad-Spectrum Bactericidal Effects of Ammonium Methyl and Ammonium Ethyl Styrene-Based Nanoparticles
Authors: Alfei Silvana , Caviglia Debora , Piatti Gabriella , Zuccari Guendalina , Schito Anna Maria
Published: August 2022

Untreatable infections, growing healthcare costs, and increasing human mortality due to the rising resistance of bacteria to most of the available antibiotics are global phenomena that urgently require the discovery of new and effective antimicrobial agents. Cationic macromolecules, acting as membrane disruptors, are widely studied, and several compounds, including two styrene-based copolymers developed by us (P5 and P7), have proved to possess potent broad-spectrum antibacterial effects, regardless of the resistance profiles of the bacteria. Here, we first reported the synthesis and physicochemical characterization of new cationic nanoparticles (NPs) (CP1 and OP2), obtained by polymerizing the monomers 4-ammoniummethylstyrene (4-AMSTY) and 4-ammoniumethylstyrene (4-AESTY) hydrochlorides, whose structures were designed using the cationic monomers of P5 and P7 as template compounds. The antibacterial activity of CP1 and OP2 was assessed against several Gram-positive and Gram-negative multi-drug resistant (MDR) pathogens, observing potent antibacterial effects for both CP1 (MICs = 0.1–0.8 µM) and OP2 (MICs = 0.35–2.8 µM) against most of the tested isolates. Additionally, time-killing studies carried out with CP1 and OP2 on different strains of the most clinically relevant MDR species demonstrated that they kill pathogens rapidly. Due to their interesting physicochemical characteristics, which could enable their mutual formulation as hydrogels, CP1 and OP2 could represent promising ingredients for the development of novel antibacterial dosage forms for topical applications, capable of overcoming severe infections sustained by bacteria resistant to the presently available antibiotics.
Association between Maternal Characteristics and Immune Factors TGF-β1, TGF-β2, and IgA in Colostrum: An Exploratory Study in Japan
Authors: Hirata Naoko , Kiuchi Megumi , Pak Kyongsun , Fukuda Risa , Mochimaru Naoko , Mitsui Mari , Yoshida Kazue
Published: August 2022

Colostrum is the first food for newborns and it contains various crucial immune factors. The concentrations of immune factors in breast milk may change depending on maternal characteristics such as body mass index, collection day, and age at first pregnancy. In this exploratory study, we investigated the association between TGF-β1, TGF-β2, and IgA in colostrum and rarely studied factors that affect breast milk components, including the use of labor-inducing medication, colostrum secretion, sex of newborns, breast or nipple problems, and nipple care. Breast milk samples were collected from 42 mothers and analyzed for TGF-β1, TGF-β2, and IgA. The results suggest that parity and mode of delivery may be correlated with the concentrations of immune factors in colostrum. However, we found no association between the immune factors in colostrum and the use of labor-inducing medications, colostrum secretion, sex of newborns, breast or nipple problems, and nipple care. These findings have some implications for further analysis of the effects of immune factors in breast milk on the prognosis of allergies in children.
The Weak Relationship between Vitamin D Compounds and Glucose Homeostasis Measures in Pregnant Women with Obesity: An Exploratory Sub-Analysis of the DALI Study
Authors: Mendoza Lilian Cristina , Harreiter Jürgen , Desoye Gernot , Simmons David , Adelantado Juan M. , Kautzky-Willer Alexandra , Zawiejska Agnieszka , Wender-Ozegowska Ewa , Lapolla Annunziata , Dalfra Maria G. , Bertolotto Alessandra , Devlieger Roland , Dunne Fidelma , Mathiesen Elisabeth R. , Damm Peter , Andersen Lisse Lotte , Jensen Dorte Moller , Hill David , van Poppel Mireille Nicoline Maria , Corcoy Rosa
Published: August 2022

Studies on the relationship between vitamin D (VitD) and glucose homeostasis usually consider either total VitD or 25OHD3 but not 25OHD2 and epimers. We aimed to evaluate the cross-sectional association of VitD compounds with glucose homeostasis measurements in pregnant women with overweight/obesity participating in the Vitamin D And Lifestyle Intervention for Gestational Diabetes Mellitus Prevention study. Methods: The analysis included 912 women. Inclusion criteria: <20 weeks gestation, body mass index ≥29 kg/m2 and information on exposure and outcome variables at baseline. Measurements: A 75 g OGTT at <20, 24–28 and 35–37 weeks gestation (except if previous diabetes diagnosis). Exposure variables: 25OHD2, 25OHD3 and C3-epimer. Outcome variables: fasting and post-challenge insulin sensitivity and secretion indices, corresponding disposition indices (DI), plasma glucose at fasting and 1 and 2 h, hyperglycemia in pregnancy (HiP). Statistics: Multivariate regression analyses with adjustment. Results: Baseline VitD sufficiency was 66.3%. Overall, VitD compounds did not show strong associations with any glucose homeostasis measures. 25OHD3 showed direct significant associations with: FPG at <20 and 24–28 weeks (standardized β coefficient (β) 0.124, p = 0.030 and 0.111, p = 0.026 respectively), 2 h plasma glucose at 24–28 weeks (β 0.120, p = 0.018), and insulin sensitivity (1/HOMA-IR, β 0.127, p = 0.027) at 35–37 weeks; it showed an inverse association with fasting DI (QUCKI*HOMA-β) at <20 and 24–28 weeks (β −0.124, p = 0.045 and β −0.148, p = 0.004 respectively). 25OHD2 showed direct associations with post-challenge insulin sensitivity (Matsuda, β 0.149, p = 0.048) at 24–28 weeks) and post-challenge DI (Matsuda*Stumvoll phase 1) at 24–28 and 35–37 weeks (β 0.168, p = 0.030, β 0.239, p = 0.006). No significant association with C3-epimer was observed at any time period. Conclusions: In these women with average baseline VitD in sufficiency range, VitD compounds did not show clear beneficial associations with glucose homeostasis measures.
Appraising the Causal Association between Systemic Iron Status and Heart Failure Risk: A Mendelian Randomisation Study
Authors: Wang Xingchen , Wang Xizhi , Gong Yingchao , Chen Xiaoou , Zhong Danfeng , Zhu Jun , Zhuang Lenan , Gao Jing , Fu Guosheng , Lu Xue , Lai Dongwu
Published: August 2022

Although observational studies have shown that abnormal systemic iron status is associated with an increased risk of heart failure (HF), it remains unclear whether this relationship represents true causality. We aimed to explore the causal relationship between iron status and HF risk. Two-sample Mendelian randomisation (MR) was applied to obtain a causal estimate. Genetic summary statistical data for the associations (p < 5 × 10−8) between single nucleotide polymorphisms (SNPs) and four iron status parameters were obtained from the Genetics of Iron Status Consortium in genome-wide association studies involving 48,972 subjects. Statistical data on the association of SNPs with HF were extracted from the UK biobank consortium (including 1088 HF cases and 360,106 controls). The results were further tested using MR based on the Bayesian model averaging (MR-BMA) and multivariate MR (MVMR). Of the twelve SNPs considered to be valid instrumental variables, three SNPs (rs1800562, rs855791, and rs1799945) were associated with all four iron biomarkers. Genetically predicted iron status biomarkers were not causally associated with HF risk (all p > 0.05). Sensitivity analysis did not show evidence of potential heterogeneity and horizontal pleiotropy. Convincing evidence to support a causal relationship between iron status and HF risk was not found. The strong relationship between abnormal iron status and HF risk may be explained by an indirect mechanism.
Are Fat Mass and Lean Mass Associated with Grip Strength in Adolescents?
Authors: Confortin Susana Cararo , Aristizábal Liliana Yanet Gómez , Bragança Maylla Luanna Barbosa Martins , Cavalcante Luciana Costa , Alves Janete Daniel de Alencar , Batista Rosangela Fernandes Lucena , Simões Vanda Maria Ferreira , Viola Poliana Cristina de Almeida Fonseca , Barbosa Aline Rodrigues , Silva Antônio Augusto Moura da
Published: August 2022

Background: The interaction between lean body mass (LBM) and fat mass index (FMI) with grip strength (GS) has not been explored in the same analysis model in adolescents. This study thus aims to analyze the association between FMI and LBM with GS. Methods: This cross-sectional study was conducted with data from the 2016 follow-up of the 1997/98 Birth Cohort of São Luís. Grip strength was assessed by the Jamar Plus + dynamometer. The LBM and FMI indexes were assessed [ratio of the mass (lean or fat-kg) to height (m2)]. The confounding variables identified for the relationship between FMI and LBM with GS in the same analysis model, by directed acyclic graph (DAG), were sex, age, race, work, alcohol consumption, smoking, physical activity, and consumption of ultra-processed foods and culinary preparations, used in the adjusted analysis. Results: A total of 2339 adolescents (52.5% girls) were analyzed. The boys have a higher GS than the girls. In the adjusted analysis, with each increase of 1 kg/m2 in the FMI, GS was reduced by 0.72 kgf for boys and 0.35 kgf for girls. At each increase of 1 kg/m2 in the LBM, GS increased by 2.18 kgf for boys and 1.26 kgf for girls. Conclusions: FMI was associated with lower GS regardless of the LBM. LBM was associated with higher GS regardless of the FMI.
Relationship between Dietary Total Antioxidant Capacity and the Prognosis of Amyotrophic Lateral Sclerosis
Authors: Eom Jihyun , Son Bugyeong , Kim Seung Hyun , Park Yongsoon
Published: August 2022

Antioxidant intake has been suggested to be associated with the prognosis of amyotrophic lateral sclerosis (ALS). This study aimed to investigate whether dietary total antioxidant capacity (DTAC) and that of major food groups are related to disease progression rate (ΔFS) and survival time in ALS patients. A total of 301 participants diagnosed with sporadic ALS according to the revised El Escorial criteria were recruited from March 2011 and followed up to the event occurrence, or the end of October 2021. Events included percutaneous endoscopic gastrostomy, tracheostomy, and death. DTAC was estimated using task automation and an algorithm based on 24 h dietary recall. ΔFS was negatively correlated with the vegetable and legume DTAC, and event-free survival was different among the tertiles of vegetables and legumes DTAC. Consistently, the risk of events was negatively associated with DTAC from vegetables and legumes. These results suggest that the intake of antioxidants, especially those derived from vegetables and legumes, has a beneficial effect on delaying disease progression and prolonging survival in patients with ALS. Further studies with large prospective cohorts and clinical trials are needed to determine whether the consumption of foods with high DTAC improves the prognosis of ALS.
Prevalence of Methicillin and β−Lactamase Resistant Pathogens Associated with Oral and Periodontal Disease of Children in Mymensingh, Bangladesh
Authors: Sultana Sharmin , Parvin Rokshana , Parvin Mst. Sonia , Islam Md. Taohidul , Bari Abu Saleh Mahfuzul , Chowdhury Emdadul Haque
Published: August 2022

Oral and periodontal diseases (OPD) is considered one of the main problems of dentistry worldwide. This study aimed to estimate the prevalence of oral and periodontal pathogenic bacteria along with their antimicrobial resistance pattern in 131 children patients aged between 4–10 years who attended in Mymensingh Medical College Hospital during October 2019 to March 2020. OPD pathogens were identified through isolation, cultural and biochemical properties, and nucleic acid detection. The isolates were subjected to antimicrobial susceptibility to 12 antibiotics commonly used in dentistry. In addition, the isolates were analyzed molecularly for the presence of six virulence and three antibacterial resistance genes. Five pathogens were identified, of which Staphylococcus aureus (S. aureus) (49%) and S. salivarius (46%) were noticed frequently; other bacteria included S. mutans (16.8%), S. sobrinus (0.8%) and L. fermentum (13.7%). The virulence genes—clumping factor A (clfA) was detected in 62.5% isolates of S. aureus, and gelatinase enzyme E (gelE) gene was detected in 5% isolates of S. salivarius, while other virulence genes were not detected. All the tested isolates were multidrug-resistant. The overall prevalence of MDR S. aureus, Streptococcus spp. and L. fermentum was 92.2%, 95.1% and 100%, respectively. It was observed that a high proportion of isolates were found resistant to 5–8 antibiotics. A majority of S. aureus, Streptococcus spp., and L. fermentum isolates tested positive for the β−lactamase resistance genes blaTEM and cfxA, as well as the methicillin resistance gene mecA. Phylogenetically, the resistance genes showed variable genetic character among Bangladeshi bacterial pathogens. In conclusion, S. aureus and S. salivarius were major OPD pathogens in patients attended in Mymensingh Medical College Hospital of Bangladesh, and most were Beta-lactam and methicillin resistant.
Development of Phytocosmeceutical Microemulgel Containing Flaxseed Extract and Its In Vitro and In Vivo Characterization
Authors: Tasneem Rabia , Khan Haji Muhammad Shoaib , Rasool Fatima , Khan Kashif-ur-Rehman , Umair Muhammad , Esatbeyoglu Tuba , Korma Sameh A.
Published: August 2022

Antioxidants from natural sources are extensively attaining consideration to avert the skin from damage and aging caused by free radicals. Flaxseed (Linum usitatissimum L.), a natural therapeutic agent, was meant to be explored cosmeceutical by quantifying its potential phytoconstituents and to be incorporated into a microemulgel for topical use. Hydroalcoholic fractions (both methanolic and ethanolic; 80%) flaxseed extracts were subjected to phytochemical screening by quantifying total phenolic content (TPC), total flavonoid content (TFC), and high-performance liquid chromatography-ultraviolet (HPLC-UV), and for biological activities through 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, tyrosinase inhibition assay, and sun protection factor (SPF). Ethanolic fraction was selected for further study by TPC (18.75 mg gallic acid equivalent/g) and TFC (1.34 mg quercetin equivalent/g). HPLC-UV analysis showed the existence of benzoic, quercetin, caffeic, vanillic, p-coumaric, gallic, cinnamic, syringic, and sinapic acids. Biological activities showed 87.00%, 72.00%, and 21.75 values for DPPH assay, tyrosinase inhibition, and SPF assays, respectively. An oil-in-water (OW) microemulsion containing the flaxseed extract, with 99.20 nm Zeta size, −19.3 Zeta potential and 0.434 polydispersity index was developed and incorporated in Carbopol-940 gel matrix to formulate an active microemulgel with 59.15% release in in vitro studies. The successfully formulated stable active microemulgel produced statistically significant effects (p < 0.05), in comparison to a placebo, on skin erythema, melanin, sebum, moisture, and elasticity, in a noninvasive in vivo study performed on 13 healthy human female volunteers. Other cosmeceutical products can also be formulated from flaxseed, making it a considerable candidate for further utilization in the pharmaceutical industry.
In Vitro–In Vivo Relationship in Mini-Scale—Enabling Formulations of Corallopyronin A
Authors: Becker Tim , Krome Anna K. , Vahdati Sahel , Schiefer Andrea , Pfarr Kenneth , Ehrens Alexandra , Aden Tilman , Grosse Miriam , Jansen Rolf , Alt Silke , Hesterkamp Thomas , Stadler Marc , Hübner Marc P. , Kehraus Stefan , König Gabriele M. , Hoerauf Achim , Wagner Karl G.
Published: August 2022

In vivo studies in mice provide a valuable model to test novel active pharmaceutical ingredients due to their low material need and the fact that mice are frequently used as a species for early efficacy models. However, preclinical in vitro evaluations of formulation principles in mice are still lacking. The development of novel in vitro and in silico models supported the preclinical formulation evaluation for the anti-infective corallopyronin A (CorA). To this end, CorA and solubility-enhanced amorphous solid dispersion formulations, comprising povidone or copovidone, were evaluated regarding biorelevant solubilities and dissolution in mouse-specific media. As an acidic compound, CorA and CorA-ASD formulations showed decreased solubilities in mice when compared with human-specific media. In biorelevant biphasic dissolution experiments CorA-povidone showed a three-fold higher fraction partitioned into the organic phase of the biphasic dissolution, when compared with CorA-copovidone. Bioavailabilities determined by pharmacokinetic studies in BALB/c mice correlated with the biphasic dissolution prediction and resulted in a Level C in vitro–in vivo correlation. In vitro cell experiments excluded intestinal efflux by P-glycoprotein or breast cancer resistance protein. By incorporating in vitro results into a physiologically based pharmacokinetic model, the plasma concentrations of CorA-ASD formulations were predicted and identified dissolution as the limiting factor for bioavailability.
Honey: An Advanced Antimicrobial and Wound Healing Biomaterial for Tissue Engineering Applications
Authors: Yupanqui Mieles Joel , Vyas Cian , Aslan Enes , Humphreys Gavin , Diver Carl , Bartolo Paulo
Published: August 2022

Honey was used in traditional medicine to treat wounds until the advent of modern medicine. The rising global antibiotic resistance has forced the development of novel therapies as alternatives to combat infections. Consequently, honey is experiencing a resurgence in evaluation for antimicrobial and wound healing applications. A range of both Gram-positive and Gram-negative bacteria, including antibiotic-resistant strains and biofilms, are inhibited by honey. Furthermore, susceptibility to antibiotics can be restored when used synergistically with honey. Honey’s antimicrobial activity also includes antifungal and antiviral properties, and in most varieties of honey, its activity is attributed to the enzymatic generation of hydrogen peroxide, a reactive oxygen species. Non-peroxide factors include low water activity, acidity, phenolic content, defensin-1, and methylglyoxal (Leptospermum honeys). Honey has also been widely explored as a tissue-regenerative agent. It can contribute to all stages of wound healing, and thus has been used in direct application and in dressings. The difficulty of the sustained delivery of honey’s active ingredients to the wound site has driven the development of tissue engineering approaches (e.g., electrospinning and hydrogels). This review presents the most in-depth and up-to-date comprehensive overview of honey’s antimicrobial and wound healing properties, commercial and medical uses, and its growing experimental use in tissue-engineered scaffolds.
Development of High Refractive Index Polydimethylsiloxane Waveguides Doped with Benzophenone via Solvent-Free Fabrication for Biomedical Pressure Sensing
Authors: Amouzou Koffi Novignon , Romero Alberto Alonso , Sengupta Dipankar , Mishra Satyendra Kumar , Richard-Denis Andréane , Mac-Thiong Jean-Marc , Petit Yvan , Lina Jean-Marc , Ung Bora
Published: August 2022

We present the fabrication and characterization of elastomeric optical waveguides, to be used for the manufacture of a conformable, water-resistant, and cost-effective pressure sensor that is amenable to the development of smart wearable health monitoring devices. To achieve this goal, high-sensitivity polydimethylsiloxane waveguides with a rectangular cross-section were fabricated. A new up-doping procedure, to tailor the refractive index of the ensuing waveguides, was experimentally developed using benzophenone additives. With this method we demonstrated a high refractive index change (up to +0.05) as a linear function of the benzophenone doping concentration. Propagation losses of about 0.37 dB/cm in the visible range and a high sensitivity to transverse compression of 0.10%/dB optical power loss were measured. It was also shown that one can further control the refractive index of the waveguide core and cladding regions through proper selection of the polydimethylsiloxane base to curing agent mixing ratio.