bluuebunny/crossref_metadata_2025 huggingface dataset:
Combining Feature-Based Molecular Networking and Contextual Mass Spectral Libraries to Decipher Nutrimetabolomics Profiles
Authors: Renai Lapo , Ulaszewska Marynka , Mattivi Fulvio , Bartoletti Riccardo , Del Bubba Massimo , van der Hooft Justin J. J.
Published: October 2022

Untargeted metabolomics approaches deal with complex data hindering structural information for the comprehensive analysis of unknown metabolite features. We investigated the metabolite discovery capacity and the possible extension of the annotation coverage of the Feature-Based Molecular Networking (FBMN) approach by adding two novel nutritionally-relevant (contextual) mass spectral libraries to the existing public ones, as compared to widely-used open-source annotation protocols. Two contextual mass spectral libraries in positive and negative ionization mode of ~300 reference molecules relevant for plant-based nutrikinetic studies were created and made publicly available through the GNPS platform. The postprandial urinary metabolome analysis within the intervention of Vaccinium supplements was selected as a case study. Following the FBMN approach in combination with the added contextual mass spectral libraries, 67 berry-related and human endogenous metabolites were annotated, achieving a structural annotation coverage comparable to or higher than existing non-commercial annotation workflows. To further exploit the quantitative data obtained within the FBMN environment, the postprandial behavior of the annotated metabolites was analyzed with Pearson product-moment correlation. This simple chemometric tool linked several molecular families with phase II and phase I metabolism. The proposed approach is a powerful strategy to employ in longitudinal studies since it reduces the unknown chemical space by boosting the annotation power to characterize biochemically relevant metabolites in human biofluids.
Lipid Aberrations in Lichen Planus
Authors: Nowowiejska Julia , Baran Anna , Flisiak Iwona
Published: October 2022

Lichen planus (LP) is a dermatosis without a fully understood etiopathogenesis, the frequency of which is estimated to be less than 1% among the population. LP may involve the glabrous skin, mucosal membranes, scalp, nails and genital area. Nowadays, there are reports of its association with lipid homeostasis aberrations. In this review, we present the contemporary view of this matter. Dyslipidemia, especially hypertriglyceridemia, seems to be an actual problem in this group of patients, and along with abnormal arterial vessel parameters, indicates an increased risk of atherosclerosis in these subjects. Dermatologists should be attentive to this relationship and aware that the patients may develop different metabolic complications. More studies are required to establish clear guidelines on the management of lipid aberrations in lichen planus.
Thermo-Mechanical Reliability Study of Through Glass Vias in 3D Interconnection
Authors: Zhao Jin , Chen Zuohuan , Qin Fei , Yu Daquan
Published: October 2022

Three-dimensional (3D) interconnection technology based on glass through vias (TGVs) has been used to integrate passive devices, and optoelectronic devices due to its superior electrical qualities, outstanding mechanical stability, and lower cost. Nevertheless, the performance and reliability of the device will be impacted by the thermal stress brought on by the mismatch of the coefficient of thermal expansion among multi-material structures and the complicated structure of TGV. This paper focuses on thermal stress evolution in different geometric and material parameters and the development of a controlled method for filling polymers in TGV interconnected structures. In addition, a numerical study based on the finite element (FE) model has been conducted to analyze the stress distribution of the different thicknesses of TGV-Cu. Additionally, a TGV interconnected structure model with a polymer buffer layer is given to solve the crack problem appearing at the edge of RDL. Meanwhile, after practical verification, in comparison to the experimental results, the FE model was shown to be highly effective and accurate for predicting the evolution of stress, and several recommendations were made to alleviate stress-related reliability concerns. An improved manufacturing process flow for the TGV interconnected structure was proposed and verified as feasible to address the RDL crack issue based on the aforementioned research. It provides helpful information for the creation of highly reliable TGV connection structures.
Translocation and Dissemination of Gut Bacteria after Severe Traumatic Brain Injury
Authors: Yang Weijian , Yuan Qiang , Li Zhiqi , Du Zhuoying , Wu Gang , Yu Jian , Hu Jin
Published: October 2022

Enterobacteriaceae are often found in the lungs of patients with severe Traumatic Brain Injury (sTBI). However, it is unknown whether these bacteria come from the gut microbiota. To investigate this hypothesis, the mice model of sTBI was used in this study. After sTBI, Chao1 and Simpson index peaking at 7 d in the lungs (p < 0.05). The relative abundance of Acinetobacter in the lungs increased to 16.26% at 7 d after sTBI. The chao1 index of gut microbiota increased after sTBI and peaked at 7 d (p < 0.05). Three hours after sTBI, the conditional pathogens such as Lachnoclostridium, Acinetobacter, Bacteroides and Streptococcus grew significantly. At 7 d and 14 d, the histology scores in the sTBI group were significantly higher than the control group (p < 0.05). The myeloperoxidase (MPO) activity increased at all-time points after sTBI and peaked at 7 d (p < 0.05). The LBP and sCD14 peaking 7 d after sTBI (p < 0.05). The Zonulin increased significantly at 3 d after sTBI and maintained the high level (p < 0.05). SourceTracker identified that the lung tissue microbiota reflects 49.69% gut source at 7 d after sTBI. In the small intestine, sTBI induced gastrointestinal dysfunction with increased apoptosis and decreasing antimicrobial peptides. There was a negative correlation between gut conditional pathogens and the expression level of antimicrobial peptides in Paneth cells. Our data indicate that gut bacteria translocated to the lungs after sTBI, and Paneth cells may regulate gut microbiota stability and translocation.
Gene Regulatory Network of the Noncoding RNA Qrr5 Involved in the Cytotoxicity of Vibrio parahaemolyticus during Infection
Authors: Zha Fei , Pang Rui , Huang Shixuan , Zhang Jumei , Wang Juan , Chen Moutong , Xue Liang , Ye Qinghua , Wu Shi , Yang Meiyan , Gu Qihui , Ding Yu , Zhang Hao , Wu Qingping
Published: October 2022

Small non-coding RNAs (sRNAs) in bacteria are important regulatory molecules for controlling virulence. In Vibrio spp., Qrr sRNAs are critical for quorum-sensing pathways and regulating the release of some virulence factors. However, the detailed role of Qrr sRNAs in the virulence of Vibrio parahaemolyticus remains poorly understood. In this study, we identified a Vibrio sRNA Qrr5 that positively regulates cytotoxicity and adherence in Caco-2 cells by primarily regulating the T3SS1 gene cluster. A number of 185, 586, 355, and 74 differentially expressed genes (DEGs) detected at 0, 2, 4, and 6 h post-infection, respectively, were mainly associated with ABC transporters and two-component system pathways. The DEGs exhibited a dynamic change in expression at various time points post-infection owing to the deletion of Qrr5. Accordingly, 17 related genes were identified in the co-expression network, and their interaction with Qrr5 was determined based on weighted co-expression network analysis during infection. Taken together, our results provide a comprehensive transcriptome profile of V. parahaemolyticus during infection in Caco-2 cells.
Screening of Endophytic Bacteria of Leucojum aestivum ‘Gravety Giant’ as a Potential Source of Alkaloids and as Antagonist to Some Plant Fungal Pathogens
Authors: Munakata Yuka , Spina Rosella , Slezack-Deschaumes Sophie , Genestier Julie , Hehn Alain , Laurain-Mattar Dominique
Published: October 2022

Leucojum aestivum is a medicinal plant belonging to the Amaryllidaceae family well known as a producer of alkaloids such as galanthamine and lycorine. However, the endophytic microbes that colonize different plant tissues without causing any damage have not been reported in this plant. Here, we explored the different endophytic bacterial communities isolated from different surface disinfected tissues of L. aestivum ‘Gravety giant’ and screened bacterial isolates producing alkaloids and their potential use as biocontrol agent against wheat pathogens. For that purpose, endophytic bacteria were isolated from bulbs, roots and shoots of L. aestivum. After taxonomical characterization, these microorganisms were screened for their ability to produce alkaloids using high-performance thin-layer chromatography (HPTLC) and untargeted liquid chromatography-Mass Spectrometry/Mass Spectrometry (LC-MS/MS) strategies. We isolated 138 bacteria belonging to four phyla and 42 genera, mainly from roots and shoots. The most abundant genera were Rahnella in shoot, Patulibacter in bulb and Bacillus in roots. Among the different bacterial isolates, the methanolic extracts of Luteibacter rhizovicinus (LaBFB3301) and Commamonas denitrificans (LaBFS2103) slightly delayed the growth of F. graminearum colonies in in vitro dual tests against F. graminearum and M. nivale strains with 15.5% and 19.9% inhibition rates, respectively. These isolates are able to produce an indolic alkaloid tryptophol (C10H11NO, [M + H]+ 162.0913). These endophytic bacteria might be investigated to characterize the plant protection effect and the plant growth promotion effect.
The Endophytic Fungi Diversity, Community Structure, and Ecological Function Prediction of Sophora alopecuroides in Ningxia, China
Authors: Wang Ruotong , Zhang Qingchen , Ju Mingxiu , Yan Siyuan , Zhang Qiangqiang , Gu Peiwen
Published: October 2022

Sophora alopecuroides L. has great medicinal and ecological value in northwestern China. The host and its microbiota are mutually symbiotic, collectively forming a holobiont, conferring beneficial effects to the plant. However, the analysis of diversity, mycobiota composition, and the ecological function of endophytic fungi in the holobiont of S. alopecuroides is relatively lacking. In this article, the fungal community profiling of roots, stems, leaves, and seeds of S. alopecuroides (at the fruit maturity stage) from Huamachi and Baofeng in Ningxia, China were investigated based on the ITS1 region, using high-throughput sequencing technology. As a result, a total of 751 operational taxonomic units (OTUs) were obtained and further classified into 9 phyla, 27 classes, 66 orders, 141 families, 245 genera, and 340 species. The roots had the highest fungal richness and diversity, while the stems had the highest evenness and pedigree diversity. There also was a significant difference in the richness of the endophytic fungal community between root and seed (p < 0.05). The organ was the main factor affecting the community structure of endophytic fungi in S. alopecuroides. The genera of unclassified Ascomycota, Tricholoma, Apiotrichum, Alternaria, and Aspergillus made up the vast majority of relative abundance, which were common in all four organs as well. The dominant and endemic genera and biomarkers of endophytic fungi in four organs of S. alopecuroides were different and exhibited organ specificity or tissue preference. The endophytic fungi of S. alopecuroides were mainly divided into 15 ecological function groups, among which saprotroph was absolutely dominant, followed by mixotrophic and pathotroph, and the symbiotroph was the least. With this study, we revealed the diversity and community structure and predicted the ecological function of the endophytic fungi of S. alopecuroides, which provided a theoretical reference for the further development and utilization of the endophytic fungi resources of S. alopecuroides.
Identification of Novel Antimicrobial Resistance Genes Using Machine Learning, Homology Modeling, and Molecular Docking
Authors: Sunuwar Janak , Azad Rajeev K.
Published: October 2022

Antimicrobial resistance (AMR) threatens the healthcare system worldwide with the rise of emerging drug resistant infectious agents. AMR may render the current therapeutics ineffective or diminish their efficacy, and its rapid dissemination can have unmitigated health and socioeconomic consequences. Just like with many other health problems, recent computational advances including developments in machine learning or artificial intelligence hold a prodigious promise in deciphering genetic factors underlying emergence and dissemination of AMR and in aiding development of therapeutics for more efficient AMR solutions. Current machine learning frameworks focus mainly on known AMR genes and are, therefore, prone to missing genes that have not been implicated in resistance yet, including many uncharacterized genes whose functions have not yet been elucidated. Furthermore, new resistance traits may evolve from these genes leading to the rise of superbugs, and therefore, these genes need to be characterized. To infer novel resistance genes, we used complete gene sets of several bacterial strains known to be susceptible or resistant to specific drugs and associated phenotypic information within a machine learning framework that enabled prioritizing genes potentially involved in resistance. Further, homology modeling of proteins encoded by prioritized genes and subsequent molecular docking studies indicated stable interactions between these proteins and the antimicrobials that the strains containing these proteins are known to be resistant to. Our study highlights the capability of a machine learning framework to uncover novel genes that have not yet been implicated in resistance to any antimicrobials and thus could spur further studies targeted at neutralizing AMR.
Impacts of Clay Content and Type on Shear Strength and Splash Erosion of Clay–Sand Mixtures
Authors: Ayoubi Shamsollah , Milikian Anashia , Mosaddeghi Mohammad Reza , Zeraatpisheh Mojtaba , Zhao Shuai
Published: October 2022

Soil characteristics, especially clay content and clay type, have significant impacts on splash erosion. This investigation was conducted to determine the effects of clay content and clay type (zeolite, phlogopite, bentonite, and kaolinite) on the shear strength and splash erosion of clay–sand mixtures compared with a clay soil under controlled conditions. Clay–sand mixtures were prepared by mixing 15, 30, and 45 kg 100 kg−1 of the selected clays with pure sand and a clay soil; these mixtures were pre-treated with three levels of wetting and drying (W&D) cycles, and then shear strength was measured. The splash erosion rate was measured at three levels of water status: air-dry, plastic limit (PL), and liquid limit (LL). The highest values of splash erosion were observed in the samples without the W&D cycle, and after applying the W&D cycles, splash erosion decreased. Moreover, splash erosion was higher in the air-dry and LL groups. Splash erosion decreased with increased clay content because of the structure development in the mixtures. In general, as clay content increased, splash erosion was reduced and shear strength was significantly increased. From the highest to lowest mean of cohesion, the results showed the following order: bentonite > kaolinite > phlogopite > clay soil > zeolite. However, splash erosion showed the following order for the studied clays: zeolite > clay soil > phlogopite > kaolinite > bentonite. Nonlinear power models, best-fitted relations between splash erosion and shear strength, and the shear strength could explain about 30–33% of the splash erosion variability in this study.
Selective Adsorption of 2-Hydroxy-3-Naphthalene Hydroxamic Acid on the Surface of Bastnaesite and Calcite
Authors: Xiong Wenliang , Wang Maoyuan , Xiao Junhui , Chen Da
Published: October 2022

In this study, 2-hydroxy-3-naphthalene hydroxamic acid (NHA) was used as a collector in microflotation experiments. By comparing the flotation performance of NHA with that of sodium oleate (NaOL) and salicylhydroxamic acid (SHA) commonly used in industry, the performance of NHA in the flotation separation of bastnaesite and calcite was studied. Potentiodynamic (zeta) measurements, Fourier transform infrared spectroscopy (FTIR) measurements and X-ray photoelectron spectroscopy (XPS) measurements were used to reveal the interaction mechanism of bastnaesite with NHA. The results of the pure mineral microflotation test showed that when the pH value was 9 and the dosage of NHA was 4.0 × 10−4 mol/L, the recovery of bastnaesite reached 93.5%. A concentrate with a bastnaesite grade of 87.08% was obtained from the flotation test of artificially mixed ore, and the recovery of bastnaesite was 90.83%. The zeta measurements and FTIR experiments showed that NHA adsorbed onto the surface of bastnaesite, which changed the surface state of bastnaesite. XPS testing showed that NHA chemically adsorbed onto the bastnaesite, and Ce3+ formed a chelated structure with −C(OH)=NO−. The hydrophobicity of the surface of bastnaesite was improved, which made it easier for bastnaesite to adhere to the slurry surface by bubbles. At present, most of the domestic methods for recovering fine-grained bastnaesite use flotation recovery. Calcite and other gangue minerals inevitably enter into the concentrate resulting in low-grade REE concentrate.
Antioxidant and Biological Activities of the Lotus Root Polysaccharide-Iron (III) Complex
Authors: Yuan Shuai , Dong Pei-Yu , Ma Hao-Hai , Liang Sheng-Lin , Li Long , Zhang Xi-Feng
Published: October 2022

In this study, the synthesis parameters of the lotus root polysaccharide iron complex (LRPF) were determined and optimized by response surface methodology. Under the optimum preparation conditions, the pH of the solution was 9, the ratio of M (trisodium citrate): m (lotus root polysaccharide) was 0.45, the reaction time was 3 h. UV spectroscopy, thermogravimetry, FT-IR spectroscopy, X-ray diffraction, CD, and NMR were used for the characterization of the LRPF. LRPF has good stability and easily releases iron ions under artificial gastrointestinal conditions. LRPF exhibited antioxidant activity in vitro and can significantly improve the antioxidant activity in vivo. In addition, LRPF has a good effect in the treatment of iron deficiency anemia in model mice, impacts the gut microbiome, and reduces the iron deficiency-induced perniciousness by regulating steroid hormone biosynthesis. Therefore, LRPF can be used as a nutritional supplement to treat and prevent iron-deficiency anemia and improve human immunity.
Identification of Natural Compounds as Inhibitors of Pyruvate Kinase M2 for Cancer Treatment
Authors: Sarfraz Iqra , Rasul Azhar , Jabeen Farhat , Sultana Tayyaba , Adem Şevki
Published: October 2022

The reliance of tumor cells on aerobic glycolysis is one of the emerging hallmarks of cancer. Pyruvate kinase M2 (PKM2), an important enzyme of glycolytic pathway, is highly expressed in a number of cancer cells. Tumor cells heavily depend on PKM2 to fulfill their divergent energetic and biosynthetic requirements, suggesting it as novel drug target for cancer therapies. Based on this context, we performed enzymatic-assay-based screening of the in-house phenolic compounds library for the identification of PKM2 inhibitors. This screening identified silibinin, curcumin, resveratrol, and ellagic acid as potential inhibitors of PKM2 with IC50 values of 0.91 µM, 1.12 µM, 3.07 µM, and 4.20 µM respectively. For the determination of Ki constants and the inhibition type of hit compounds, Lineweaver–Burk graphs were plotted. Silibinin and ellagic acid performed the competitive inhibition of PKM2 with Ki constants of 0.61 µM and 5.06 µM, while curcumin and resveratrol were identified as non-competitive inhibitors of PKM2 with Ki constants of 1.20 µM and 7.34 µM. The in silico screening of phenolic compounds against three binding sites of PKM2 provided insight into the binding pattern and functionally important amino residues of PKM2. Further, the evaluation of cytotoxicity via MTT assay demonstrated ellagic acid as potent inhibitor of cancer cell growth (IC50 = 20 µM). These results present ellagic acid, silibinin, curcumin, and resveratrol as inhibitors of PKM2 to interrogate metabolic reprogramming in cancer cells. This study has also provided the foundation for further research to validate the potential of identified bioactive entities for PKM2 targeted-cancer therapies.
The Potential Neuroprotective Effect of Cyperus esculentus L. Extract in Scopolamine-Induced Cognitive Impairment in Rats: Extensive Biological and Metabolomics Approaches
Authors: Saeed Marwa M. , Fernández-Ochoa Álvaro , Saber Fatema R. , Sayed Rabab H. , Cádiz-Gurrea María de la Luz , Elmotayam Amira K. , Leyva-Jiménez Francisco Javier , Segura-Carretero Antonio , Nadeem Rania I.
Published: October 2022

The aim of the present study is to investigate the phytochemical composition of tiger nut (TN) (Cyperus esculentus L.) and its neuroprotective potential in scopolamine (Scop)-induced cognitive impairment in rats. The UHPLC-ESI-QTOF-MS analysis enabled the putative annotation of 88 metabolites, such as saccharides, amino acids, organic acids, fatty acids, phenolic compounds and flavonoids. Treatment with TN extract restored Scop-induced learning and memory impairments. In parallel, TN extract succeeded in lowering amyloid beta, β-secretase protein expression and acetylcholine esterase (AChE) activity in the hippocampus of rats. TN extract decreased malondialdehyde levels, restored antioxidant levels and reduced proinflammatory cytokines as well as the Bax/Bcl2 ratio. Histopathological analysis demonstrated marked neuroprotection in TN-treated groups. In conclusion, the present study reveals that TN extract attenuates Scop-induced memory impairments by diminishing amyloid beta aggregates, as well as its anti-inflammatory, antioxidant, anti-apoptotic and anti-AChE activities.
Bioactive Platinum(IV) Complexes Incorporating Halogenated Phenylacetates
Authors: Aputen Angelico D. , Elias Maria George , Gilbert Jayne , Sakoff Jennette A. , Gordon Christopher P. , Scott Kieran F. , Aldrich-Wright Janice R.
Published: October 2022

A new series of cytotoxic platinum(IV) complexes (1–8) incorporating halogenated phenylacetic acid derivatives (4-chlorophenylacetic acid, 4-fluorophenylacetic acid, 4-bromophenylacetic acid and 4-iodophenylacetic acid) were synthesised and characterised using spectroscopic and spectrometric techniques. Complexes 1–8 were assessed on a panel of cell lines including HT29 colon, U87 glioblastoma, MCF-7 breast, A2780 ovarian, H460 lung, A431 skin, Du145 prostate, BE2-C neuroblastoma, SJ-G2 glioblastoma, MIA pancreas, the ADDP-resistant ovarian variant, and the non-tumour-derived MCF10A breast line. The in vitro cytotoxicity results confirmed the superior biological activity of the studied complexes, especially those containing 4-fluorophenylacetic acid and 4-bromophenylacetic acid ligands, namely 4 and 6, eliciting an average GI50 value of 20 nM over the range of cell lines tested. In the Du145 prostate cell line, 4 exhibited the highest degree of potency amongst the derivatives, displaying a GI50 value of 0.7 nM, which makes it 1700-fold more potent than cisplatin (1200 nM) and nearly 7-fold more potent than our lead complex, 56MESS (4.6 nM) in this cell line. Notably, in the ADDP-resistant ovarian variant cell line, 4 (6 nM) was found to be almost 4700-fold more potent than cisplatin. Reduction reaction experiments were also undertaken, along with studies aimed at determining the complexes’ solubility, stability, lipophilicity, and reactive oxygen species production.
A Review on Cyanide Gas Elimination Methods and Materials
Authors: Yang Xuanlin , Lan Liang , Zhao Ziwang , Zhou Shuyuan , Kang Kai , Song Hua , Bai Shupei
Published: October 2022

Cyanide gas is highly toxic and volatile and is among the most typical toxic and harmful pollutants to human health and the environment found in industrial waste gas. In the military context, cyanide gas has been used as a systemic toxic agent. In this paper, we review cyanide gas elimination methods, focusing on adsorption and catalysis approaches. The research progress on materials capable of affecting cyanide gas adsorption and catalytic degradation is discussed in depth, and the advantages and disadvantages of various materials are summarized. Finally, suggestions are provided for future research directions with respect to cyanide gas elimination materials.
Silica Aerogel-Rubber Composite: A Sustainable Alternative for Buildings’ Thermal Insulation
Authors: Alves Patrícia , Dias Diogo Azeiteiro , Pontinha Ana Dora Rodrigues
Published: October 2022

Silica aerogel composites with recycled tire rubber have been synthesized and evaluated for their potential use for thermal protection in buildings. The present work describes for the first time the preparation of silica-based aerogel composites containing recycled rubber tires reinforced with polyvinyl butyral (PVB) by hot pressing. The developed composite was extensively characterized regarding its physical, morphological, thermal and mechanical features, and the results showed their properties were relevant, leading to composites with different properties/performances. The obtained bulk density values were satisfactory, down to 474 kg·m−3, and very good thermal properties were achieved, namely, thermal conductivity as low as 55 mW·m−1·K−1 for composites with silica aerogel, recycled tire rubber and PVB. The most promising composites were those based on low bulk density and thermal conductivity values, and they were thermally stable, indicating their suitability for thermal insulation applications.
Synthesis, In Vitro Anti-Microbial Analysis and Molecular Docking Study of Aliphatic Hydrazide-Based Benzene Sulphonamide Derivatives as Potent Inhibitors of α-Glucosidase and Urease
Authors: Khan Shoaib , Iqbal Shahid , Shah Mazloom , Rehman Wajid , Hussain Rafaqat , Rasheed Liaqat , Alrbyawi Hamad , Dera Ayed A. , Alahmdi Mohammed Issa , Pashameah Rami Adel , Alzahrani Eman , Farouk Abd-ElAziem
Published: October 2022

A unique series of sulphonamide derivatives was attempted to be synthesized in this study using a new and effective method. All of the synthesized compounds were verified using several spectroscopic methods, including FTIR, 1H-NMR, 13C-NMR, and HREI-MS, and their binding interactions were studied using molecular docking. The enzymes urease and α-glucosidase were evaluated against each derivative (1–15). When compared to their respective standard drug such as acarbose and thiourea, almost all compounds were shown to have excellent activity. Among the screened series, analogs 5 (IC50 = 3.20 ± 0.40 and 2.10 ± 0.10 µM) and 6 (IC50 = 2.50 ± 0.40 and 5.30 ± 0.20 µM), emerged as potent molecules when compared to the standard drugs acarbose (IC50 = 8.24 ± 0.08 µM) and urease (IC50 = 7.80 ± 0.30). Moreover, an anti-microbial study also demonstrated that analogs 5 and 6 were found with minimum inhibitory concentrations (MICs) in the presence of standard drugs streptomycin and terinafine.
Polyacrylonitrile/Aminated Polymeric Nanosphere Nanofibers as Efficient Adsorbents for Cr(VI) Removal
Authors: Qi Junwen , Zeng Mengli , Zhu Zhigao , Zhou Yujun , Sun Xiuyun , Li Jiansheng
Published: October 2022

In this work, polyacrylonitrile/aminated polymeric nanosphere (PAN/APN) nanofibers were prepared by electrospinning of monodispersed aminated polymeric nanospheres (APNs) for removal of Cr(VI) from aqueous solution. Characterization results showed that obtained PAN/APNs possessed nitrogen functionalization. Furthermore, the adsorption application results indicated that PAN/APN nanofibers exhibited a high adsorption capacity of 556 mg/g at 298 K for Cr(VI) removal. The kinetic data showed that the adsorption process fits the pseudo-second order. A thermodynamic study revealed that the adsorption of Cr(VI) was spontaneous and endothermic. The coexisting ions Na+, Ca2+, K+, Cl−, NO3− and PO43− had little influence on Cr(VI) adsorption, while SO42− in solution dramatically decreased the removal performance. In the investigation of the removal mechanism, relative results indicated that the adsorption behavior possibly involved electrostatic adsorption, redox reaction and chelation. PAN/APN nanofibers can detoxify Cr(VI) to Cr(III) and subsequently chelate Cr(III) on its surface. The unique structure and nitrogen functionalization of PAN/APN nanofibers make them novel and prospective candidates in heavy metal removal.
Changes in Chemical Composition of Flaxseed Oil during Thermal-Induced Oxidation and Resultant Effect on DSC Thermal Properties
Authors: Zhang Zhenshan , Wei Yunyi , Guan Ni , Li Bingzheng , Wang Yong
Published: October 2022

To investigate the changes in chemical composition of flaxseed oil during thermal-induced oxidation and the resultant effect on thermal properties, samples with different oxidation levels were obtained by being heated at 180 °C for two hours and four hours. The oxidation degree was evaluated using peroxide value (PV), extinction coefficient at 232 nm and 268 nm (K232 and K268), and total polar compounds (TPC). Using chromatography, the fatty acid profile and triacylglycerol (TAG) profile were examined. Differential scanning calorimetry (DSC) was used to determine the crystallization and melting profiles. Thermal-induced oxidation of flaxseed oil led to a significant increase (p < 0.05) in PV, K232, K268, and TPC, but the relative content of linolenic acid (Ln) and LnLnLn reduced dramatically (p < 0.05). TPC derived from lipid degradation affected both crystallization and melting profiles. Statistical correlations showed that the onset temperature (Ton) of the crystallization curve was highly correlated with K232, TPC, and the relative content of LnLnLn (p < 0.05), whereas the offset temperature (Toff) of the melting curve was highly correlated with the relative content of most fatty acids (p < 0.05). This finding provides a new way of rapid evaluation of oxidation level and changes of chemical composition for flaxseed oils using DSC.
Antibacterial Efficacy and Mechanisms of Curcumin-Based Photodynamic Treatment against Staphylococcus aureus and Its Application in Juices
Authors: Yuan Yuan , Liu Qingyan , Huang Yanjun , Qi Mengyuan , Yan Haiyang , Li Wenliang , Zhuang Hong
Published: October 2022

Antimicrobial Photodynamic Treatment (aPDT) is a non-thermal sterilization technology, which can inactivate common foodborne pathogens. In the present study, photodynamic inactivation on Staphylococcus aureus (S. aureus) with different concentrations of curcumin and light dose was evaluated and the mechanisms were also investigated. The results showed that curcumin-based aPDT could inactivate S. aureus cells by 6.9 log CFU/mL in phosphate buffered saline (PBS). Moreover, the modified Gompertz model presented a good fit at the inactivation data of S. aureus. Photodynamic treatment caused cell membrane damage as revealed by analyzing scanning electron microscopy (SEM) images. Leakage of intracellular constituents further indicated that cell membrane permeability was changed. Flow cytometry with double staining demonstrated that cell membrane integrity and the activity of nonspecific esterase were destroyed. Compared with the control group, intracellular reactive oxygen species (ROS) levels caused by photodynamic treatment significantly increased. Furthermore, curcumin-based aPDT reduced S. aureus by 5 log CFU/mL in juices. The color of the juices was also tested using a Chromatic meter, and it was found that b* values were the most markedly influenced by photodynamic treatment. Overall, curcumin-based aPDT had strong antibacterial activity against S. aureus. This approach has the potential to remove foodborne pathogens from liquid food.
Glycerol-Based Retrievable Heterogeneous Catalysts for Single-Pot Esterification of Palm Fatty Acid Distillate to Biodiesel
Authors: Hazmi Balkis , Beygisangchin Mahnoush , Rashid Umer , Mokhtar Wan Nur Aini Wan , Tsubota Toshiki , Alsalme Ali , Ngamcharussrivichai Chawalit
Published: October 2022

The by-product of the previous transesterification, glycerol was utilised as an acid catalyst precursor for biodiesel production. The crude glycerol was treated through the sulfonation method with sulfuric acid and chlorosulfonic acid in a reflux batch reactor giving solid glycerol-SO3H and glycerol-ClSO3H, respectively. The synthesised acidic glycerol catalysts were characterised by various analytical techniques such as thermalgravimetric analyser (TGA), infrared spectroscopy, surface properties adsorption-desorption by nitrogen gas, ammonia-temperature programmed desorption (NH3-TPD), X-ray diffraction spectroscopy (XRD), elemental composition analysis by energy dispersive spectrometer (EDX) and surface micrographic morphologies by field emission electron microscope (FESEM). Both glycerol-SO3H and glycerol-ClSO3H samples exhibited mesoporous structures with a low surface area of 8.85 mm2/g and 4.71 mm2/g, respectively, supported by the microscopic image of blockage pores. However, the acidity strength for both catalysts was recorded at 3.43 mmol/g and 3.96 mmol/g, which is sufficient for catalysing PFAD biodiesel at the highest yield. The catalytic esterification was optimised at 96.7% and 98.2% with 3 wt.% of catalyst loading, 18:1 of methanol-PFAD molar ratio, 120 °C, and 4 h of reaction. Catalyst reusability was sustained up to 3 reaction cycles due to catalyst deactivation, and the insight investigation of spent catalysts was also performed.
Dual-State Emission of 2-(Butylamino)Cinchomeronic Dinitrile Derivatives
Authors: Lipin Konstantin V. , Ievlev Mikhail Yu. , Ershova Anastasiya I. , Ershov Oleg V.
Published: October 2022

New representatives of 2-(butylamino)cinchomeronic dinitrile derivatives were synthesized as promising fluorophores showing dual-state emission. To characterize the influence of the length (from methyl to butyl) and the structure (both linear and branched) of the alkyl substituent at the amino nitrogen atom, the spectral fluorescence properties of all synthesized compounds were carefully studied both in solution and in solid state. The highest photoluminescence quantum yield values of 63% were noted for solutions of 2-(butylamino)-6-phenylpyridine-3,4-dicarbonitrile in DCM and 2-(butylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile in toluene.
Recent Advances in Exosomal miRNA Biosensing for Liquid Biopsy
Authors: Lin Bingqian , Jiang Jinting , Jia Jingxuan , Zhou Xiang
Published: October 2022

As a noninvasive detection technique, liquid biopsy plays a valuable role in cancer diagnosis, disease monitoring, and prognostic assessment. In liquid biopsies, exosomes are considered among the potential biomarkers because they are important bioinformation carriers for intercellular communication. Exosomes transport miRNAs and, thus, play an important role in the regulation of cell growth and function; therefore, detection of cancer cell-derived exosomal miRNAs (exo-miRNAs) gives effective information in liquid biopsy. The development of sensitive, convenient, and reliable exo-miRNA assays will provide new perspectives for medical diagnosis. This review presents different designs and detection strategies of recent exo-miRNA assays in terms of signal transduction and amplification, as well as signal detection. In addition, this review outlines the current attempts at bioassay methods in liquid biopsies. Lastly, the challenges and prospects of exosome bioassays are also considered.
Recent Insights into Cu-Based Catalytic Sites for the Direct Conversion of Methane to Methanol
Authors: Mao Min , Liu Lingmei , Liu Zhaohui
Published: October 2022

Direct conversion of methane to methanol is an effective and practical process to improve the efficiency of natural gas utilization. Copper (Cu)-based catalysts have attracted great research attention, due to their unique ability to selectively catalyze the partial oxidation of methane to methanol at relatively low temperatures. In recent decades, many different catalysts have been studied to achieve a high conversion of methane to methanol, including the Cu-based enzymes, Cu-zeolites, Cu-MOFs (metal-organic frameworks) and Cu-oxides. In this mini review, we will detail the obtained evidence on the exact state of the active Cu sites on these various catalysts, which have arisen from the most recently developed techniques and the results of DFT calculations. We aim to establish the structure–performance relationship in terms of the properties of these materials and their catalytic functionalities, and also discuss the unresolved questions in the direct conversion of methane to methanol reactions. Finally, we hope to offer some suggestions and strategies for guiding the practical applications regarding the catalyst design and engineering for a high methanol yield in the methane oxidation reaction.
Ultrasound Plus Vacuum-System-Assisted Biocatalytic Synthesis of Octyl Cinnamate and Response Surface Methodology Optimization
Authors: Tsai Ming-Fang , Huang Shang-Ming , Huang Hsin-Yi , Tsai Shuo-Wen , Kuo Chia-Hung , Shieh Chwen-Jen
Published: October 2022

Cinnamic acid is one of the phenolic compounds that is isolated from cinnamon, or other natural plants, and has a wide range of physiological activities. However, the application of cinnamic acid is limited due to its poor solubility and low oral bioavailability. In this study, the feasibility of producing octyl cinnamate by ultrasonic assistance, combined with a rotary evaporation under vacuum, was studied using methyl cinnamate and octanol as the starting materials. A Box–Behnken design (BBD) was employed to evaluate the effects of the operation parameters, including reaction temperature (55–75 °C), reaction time (4–12 h), and ultrasonic power (90–150 W) on the production of octyl cinnamate. Meanwhile, the synthesis process was further optimized by the modeling response surface methodology (RSM). The data indicated that octyl cinnamate was efficiently synthesized from methyl cinnamate and octanol using the ultrasound plus vacuum system; further, this system was superior to the conventional method. According to the RSM model for the actual experiments, a reaction temperature of 74.6 °C, a reaction time of 11.1 h, and an ultrasound power of 150 W were determined to be the best conditions for the maximum molar conversion of octyl cinnamate (93.8%). In conclusion, the highly efficient synthesis of octyl cinnamate by a rotary evaporator with an ultrasound plus vacuum system was achieved via RSM optimization.
Isolation and Identification of Antioxidative Peptide from Goose Liver Hydrolysate to Ameliorate Alcohol-Mediated Oxidative Stress Damage in HHL-5 Hepatocytes
Authors: Du Yeye , Chen Zhihong , Wei Haiyang , Zhu Shuangjie , Cai Kezhou
Published: October 2022

The aim of this study was to isolate and identify antioxidative peptide from goose liver hydrolysate (GLHP) for ameliorating oxidative stress damage by alcohol in HHL-5 hepatocytes. In this research, the target antioxidative peptides in GLHP were separated, purified, and identified via a tangential flow ultrafiltration system combined with size exclusion chromatography (SEC), ion exchange chromatography (IEC), reversed-phase liquid chromatography (RP-LC), and LC-MS/MS. The results suggested that the amino acid sequence of the target antioxidative peptide for ameliorating alcohol-mediated oxidative stress damage in HHL-5 hepatocytes was Leu-Pro-Leu-Pro-Phe-Pro (LPLPFP), which had a molecular weight of 683.41 Da, and was derived from NADH-ubiquinone oxidoreductase chain 1 in goose liver. In addition, LPLPFP was confirmed to have a satisfactory stability and maintained high hepatic protective activity in a simulated gastrointestinal digestion. Moreover, the mechanism of LPLPFP prevented against oxidative stress damage in HHL-5 hepatocytes was attributed to inhibiting the production of reactive oxide species (ROS) by upregulating genes expression in the Ahr-NQO1 signal pathway. In conclusion, these results indicated that dietary GLHP supplementation could ameliorate alcohol-mediated oxidative stress damage and provide an affordable dietary intervention strategy to prevent alcohol-mediated hepatocyte damage.
Reactions of a Dioxidomolybdenum(VI) Complex with Thionation Reagents—Formation of Mo(IV) Species with Sulfur Donors
Authors: Salojärvi Esko , Peuronen Anssi , Sapkota Narhari , Lehtonen Ari
Published: October 2022

Molecular molybdenum complexes with sulfur donor ligands are generally studied as soluble model compounds for molybdenum enzymes essential for life. The dioxidomolybdenum(VI) complex with tetradentate aminobisphenolate ligand undergoes a reaction with thionation reagent P2S5 or its organic derivative, Lawesson’s reagent, to yield stable Mo(IV) aminobisphenolate complexes, where pristine oxido ligands have been replaced by bidentate sulfur donors tetrasulfide, S42− or (4-methoxyphenyl)phosphonotrithioate residue derived from Lawesson’s reagent. This is in contrast to the behaviour of analogous dioxidotungsten(VI) complex, which, under similar conditions, yields W(VI) S2 systems. The overall cis,trans,cis geometry of the parent dioxidomolybdenum(VI) aminobisphenolate is retained, namely, the neutral nitrogen donors are in cis positions, phenolate oxygens are trans to each other and sulfur donors are cis. Although formally Mo(IV), thus d2 system, the studied complexes have diamagnetic singlet electron configurations as a result of the axially compressed octahedral structures.
Preparation and Characterization of Simvastatin-Loaded PCL/PEG Nanofiber Membranes for Drug Sustained Release
Authors: Pan Lu , Yang Jiahao , Xu Lan
Published: October 2022

Simvastatin (SIM) particles are liposoluble drugs with large particle sizes, resulting in poor compatibility with electrospun polycaprolactone (PCL)/polyethylene glycol (PEG) nanofibers, so that part of them will be exposed to the electrospun nanofiber surface, which is easy to cause the burst release of drugs. Therefore, in this paper, stearic acid (SA) with good biocompatibility was innovatively added to increase the dispersion uniformity of SIM in the spinning solution, thus improving the performances of SIM-loaded PCL/PEG nanofiber membranes (NFMs). Accordingly, the effects of SA addition on the morphologies, mechanical properties, wettability, and drug release properties of the SIM-loaded NFMs were studied. The results showed that after SIM was dissolved in SA solution, the particle size of SIM was significantly reduced and could be evenly dispersed in the polymer spinning solution, thus obtaining the SIM-loaded composite NFMs with the best morphology and performance.
Inhibition of Phenol from Entering into Condensed Freshwater by Activated Persulfate during Solar-Driven Seawater Desalination
Authors: Zhou Xiaojiao , Tao Ningyao , Jin Wen , Wang Xingyuan , Zhang Tuqiao , Ye Miaomiao
Published: October 2022

Recently, solar-driven seawater desalination has received extensive attention since it can obtain considerable freshwater by accelerating water evaporation at the air–water interface through solar evaporators. However, the high air–water interface temperature can cause volatile organic compounds (VOCs) to enter condensed freshwater and result in water quality safety risk. In this work, an antioxidative solar evaporator, which was composed of MoS2 as the photothermal material, expandable polyethylene (EPE) foam as the insulation material, polytetrafluoroethylene (PTFE) plate as the corrosion resistant material, and fiberglass membrane (FB) as the seawater delivery material, was fabricated for the first time. The activated persulfate (PS) methods, including peroxymonosulfate (PMS) and peroxodisulfate (PDS), were applied to inhibit phenol from entering condensed freshwater during desalination. The distillation concentration ratio of phenol (RD) was reduced from 76.5% to 0% with the addition of sufficient PMS or PDS, which means that there was no phenol in condensed freshwater. It was found that the Cl− is the main factor in activating PMS, while for PDS, light, and heat are the dominant. Compared with PDS, PMS can make full utilization of the light, heat, Cl− at the evaporator’s surface, resulting in more effective inhibition of the phenol from entering condensed freshwater. Finally, though phenol was efficiently removed by the addition of PMS or PDS, the problem of the formation of the halogenated distillation by-products in condensed freshwater should be given more attention in the future.
DNA Origami Disguises Herpes Simplex Virus 1 Particles and Controls Their Virulence
Authors: Borum Raina M. , Lin Avery E. , Dong Xiangyi , Kai Mingxuan , Chen Yi
Published: October 2022

DNA nanostructures are well-established vectors for packaging diversified payloads for targeted cellular delivery. Here, DNA origami rectangular sheets were combined with Herpes Simplex Virus 1 (HSV1) capsids to demonstrate surface coverage of the particle via electrostatic interactions. The optimized origami:HSV1 molar ratios led to characteristic packaging geometries ranging from dispersed “HSV1 pockets” to agglomerated “HSV1 sleeves”. “Pockets” were disguised from cells in HeLa and B16F10 cells and were 44.2% less infective than naked HSV1 particles. However, the pockets were 117% more infective than naked HSV1 particles when the origami sheets were coated with folic acid. We observed infectivity from naked origami, but they are 99.1% less infective with respect to HSV1 and 99.6% less infective with respect to the pocket complexes. This work suggests that DNA origami can selectively modulate virus infectivity.
Transition Metal–(μ-Cl)–Aluminum Bonding in α-Olefin and Diene Chemistry
Authors: Nifant’ev Ilya E. , Salakhov Ildar I. , Ivchenko Pavel V.
Published: October 2022

Olefin and diene transformations, catalyzed by organoaluminum-activated metal complexes, are widely used in synthetic organic chemistry and form the basis of major petrochemical processes. However, the role of M–(μ-Cl)–Al bonding, being proven for certain >C=C< functionalization reactions, remains unclear and debated for essentially more important industrial processes such as oligomerization and polymerization of α-olefins and conjugated dienes. Numerous publications indirectly point at the significance of M–(μ-Cl)–Al bonding in Ziegler–Natta and related transformations, but only a few studies contain experimental or at least theoretical evidence of the involvement of M–(μ-Cl)–Al species into catalytic cycles. In the present review, we have compiled data on the formation of M–(μ-Cl)–Al complexes (M = Ti, Zr, V, Cr, Ni), their molecular structure, and reactivity towards olefins and dienes. The possible role of similar complexes in the functionalization, oligomerization and polymerization of α-olefins and dienes is discussed in the present review through the prism of the further development of Ziegler–Natta processes and beyond.