bluuebunny/crossref_metadata_2025 huggingface dataset:
High-Efficiency Extraction of Pantoea alhagi Exopolysaccharides Driven by pH-Related Changes in the Envelope Structure
Authors: Ma Yuhang , Sun Liang , Wang Rui , Gu Yian , Xu Hong , Lei Peng
Published: October 2022

Increasing numbers of exopolysaccharides and their properties have been explored. However, the difficulty of extracting high-viscosity exopolysaccharides has hindered their further industrialization. In this research, we explored a strategy based on encapsulated structure control under different pH to efficiently extract Pantoea alhagi exopolysaccharides (PAPS). Results showed that at pH levels of 6, 12, and 13, the extraction efficiency of PAPS was elevated, and the yield did not decrease. The rheological properties of the pH−12-treated PAPS were better than those of PAPS treated at pH 7, while the pH−6-treated PAPS decreased. The effects of pH−12-treated PAPS on soil macroaggregates and soil’s water evaporation rate were similar to those of PAPS treated at pH 7. In addition, we observed that treatment at pH 12 produced a significantly reduced encapsulated structure compared with treatment at pH 7. The proportion of unsaturated fatty acids after treatment at pH 12 was higher than after treatment at pH 7, which may result in reduced encapsulated structure in pH−12 conditions. These results enrich the understanding of the effect that alters pH conditions on the encapsulated structure to improve the extraction efficiency of exopolysaccharides and provide a theoretical basis for the extraction of exopolysaccharides with extreme viscosity.
Copper-Catalyzed Diboron-Mediated cis-Semi-Hydrogenation of Alkynes under Facile Conditions
Authors: Zeng Yuxi , Zhang Honggang , Ma Daofan , Wang Guangwei
Published: October 2022

Cis-alkenes are ubiquitous in biological molecules, which makes it greatly significant to develop efficient methods toward construction of cis-olefins. Herein, we reported a facile semi-hydrogenation of alkynes to cis-alkenes in an efficient way with cuprous bromide/tributylphosphine as the catalyst and bis(pinacolato)diboron/methanol as the hydrogen donor. The method features convenient and facile reaction conditions, wide substrate scope, high yields, and high stereoselectivity.
Dough Performance and Quality Evaluation of Cookies Prepared from Flour Blends Containing Cactus (Opuntia ficus-indica) and Acacia (Acacia seyal) Gums
Authors: Hussain Shahzad , Alamri Mohamed Saleh , Mohamed Abdellatif A. , Ibraheem Mohamed Abdrabo , Qasem Akram A. Abdo , Shamlan Ghalia , Ababtain Ibrahim A.
Published: October 2022

Acacia (AG) and cactus gums (CG) were mixed into wheat flour at the 3% and 6% levels. The flour blends were tested for their pasting, dough development, and extensibility behaviors. The blends were used to make cookies, which were then evaluated for their physical, textural, and sensory qualities. Both types of gum reduced the setback viscosities, water absorption, and farinograph quality numbers while increasing the water retention capacity, dough development time, and extensibility. The thickness and diameter of the cookies decreased in the presence of the cactus gum, while the acacia gum resulted in greater thickness and diameter. The addition of more gums increased the hardness of the cookies while decreasing their fracturability. All the cookie types were acceptable for all the sensory attributes studied. When compared to the control, the panelists preferred the color of the cookies with a higher level of gum. Overall, the presence of gums in the formulation resulted in the development of cookies with improved technological and sensory attributes. Likewise, the cookies with higher levels of gum can deliver 6% more soluble fiber without compromising their overall acceptability.
Use of Nitric Oxide Donor-Loaded Microbubble Destruction by Ultrasound in Thrombus Treatment
Authors: Corro Ricardo , Urquijo Carlos Franco , Aguila Oscar , Villa Elisa , Santana Jesus , Rios Amelia , Escalante Bruno
Published: October 2022

In the presence of a vascular thrombus, the recovery of blood flow and vascular recanalization are very important to prevent tissue damage. An alternative procedure to thrombolysis is required for patients who are unable to receive surgery or thrombolytic drugs due to other physical conditions. Recently, the performance of thrombolysis combined with microbubbles has become an attractive and effective therapeutic procedure. Indeed, in a recent study, we demonstrated that, upon exposure to ultrasound, liposomes loaded with nitric oxide release agonists conjugated to microbubbles; therefore, there is potential to release the agonist in a controlled manner into specific tissues. This means that the effect of the agonist is potentiated, decreasing interactions with other tissues, and reducing the dose required to induce nitric-oxide-dependent vasodilation. In the present study, we hypothesized that a liposome microbubble delivery system can be used as a hydrophilic agonist carrier for the nitric oxide donor spermine NONOate, to elicit femoral vasodilation and clot degradation. Therefore, we used spermine-NONOate-loaded microbubbles to evaluate the effect of ultrasound-mediated microbubble disruption (UMMD) on thromboembolic femoral artery recanalization. We prepared spermine NONOate-loaded microbubbles and tested their effect on ex vivo preparations, hypothesizing that ultrasound-induced microbubble disruption is associated with the vasorelaxation of aortic rings. Thrombolysis was demonstrated in aorta blood-flow recovery after disruption by spermine NONOate-loaded microbubbles via ultrasound application in the region where the thrombus is located. Our study provides an option for the clinical translation of NO donors to therapeutic applications.
Selective Conversion of Glycerol to Methanol over CaO-Modified HZSM-5 Zeolite
Authors: Atchimarungsri Thachapan , Gao Xinhua , Wang Kangzhou , Ma Qingxiang , Zhang Jianli , Fan Subing , He Fugui , Tian Jumei , Reubroycharoen Prasert , Zhao Tiansheng
Published: October 2022

Biodiesel is generally produced from vegetable oils and methanol, which also generates glycerol as byproduct. To improve the overall economic performance of the process, the selective formation of methanol from glycerol is important in biodiesel production. In the present study, a CaO modified HZSM-5 zeolite was prepared by an impregnation method and used for the conversion of glycerol to methanol. We found that the 10%CaO/HZSM-5 with Si/Al ratio of 38 exhibited highest selectivity to methanol of 70%, with a glycerol conversion of 100% under 340 ℃ and atmospheric pressure. The characterization results showed that the introduction of a small amount of CaO into the HZSM-5 did not affect the structure of zeolite. The incorporation of HZSM-5 as an acidic catalyst and CaO as a basic catalyst in a synergistic catalysis system led to higher conversion of glycerol and selectivity of methanol.
Effect of Ginger on Inflammatory Diseases
Authors: Ballester Pura , Cerdá Begoña , Arcusa Raúl , Marhuenda Javier , Yamedjeu Karen , Zafrilla Pilar
Published: October 2022

Ulcerative colitis, Crohn’s disease, rheumatoid arthritis, psoriasis, and lupus erythematosus are some of common inflammatory diseases. These affections are highly disabling and share signals such as inflammatory sequences and immune dysregulation. The use of foods with anti-inflammatory properties such as ginger (Zingiber officinale Roscoe) could improve the quality of life of these patients. Ginger is a plant widely used and known by its bioactive compounds. There is enough evidence to prove that ginger possesses multiple biological activities, especially antioxidant and anti-inflammatory capacities. In this review, we summarize the current knowledge about the bioactive compounds of ginger and their role in the inflammatory process and its signaling pathways. We can conclude that the compounds 6-shoagol, zingerone, and 8-shoagol display promising results in human and animal models, reducing some of the main symptoms of some inflammatory diseases such as arthritis. For lupus, 6-gingerol demonstrated a protective attenuating neutrophil extracellular trap release in response to phosphodiesterase inhibition. Ginger decreases NF-kβ in psoriasis, and its short-term administration may be an alternative coadjuvant treatment. Ginger may exert a function of supplementation and protection against cancer. Furthermore, when receiving chemotherapy, ginger may reduce some symptoms of treatment (e.g., nausea).
Tailoring the Electrical Energy Storage Capability of Dielectric Polymer Nanocomposites via Engineering of the Host–Guest Interface by Phosphonic Acids
Authors: Wang Shaojing , Xu Peng , Xu Xiangyi , Kang Da , Chen Jie , Li Zhe , Huang Xingyi
Published: October 2022

Polymer nanocomposites have attracted broad attention in the area of dielectric and energy storage. However, the electrical and chemical performance mismatch between inorganic nanoparticles and polymer leads to interfacial incompatibility. In this study, phosphonic acid molecules with different functional ligands were introduced to the surface of BaTiO3 (BT) nanoparticles to tune their surface properties and tailor the host–guest interaction between BT and poly(vinylideneflyoride-co-hexafluroro propylene) (P(VDF-HFP)). The dielectric properties and electrical energy storage capability of the nanocomposites were recorded by broadband dielectric spectroscopy and electric displacement measurements, respectively. The influence of the ligand length and polarity on the dielectric properties and electrical energy storage of the nanocomposites was documented. The nanocomposite with 5 vol% 2,3,4,5,6-pentafluorobenzyl phosphonic acid (PFBPA)-modified BT had the highest energy density of 12.8 J cm−3 at 400 MV m−1, i.e., a 187% enhancement in the electrical energy storage capability over the pure P(VDF-HFP). This enhancement can be attributed to the strong electron-withdrawing effect of the pentafluorobenzyl group of PFBPA, which changed the electronic nature of the polymer–particle interface. On the other hand, PFBPA improves the compatibility of the host–guest interface in the nanocomposites and decreases the electrical mismatch of the interface. These results provide new insights into the design and preparation of high-performance dielectric nanocomposites.
2,4-Dinitrophenol as an Uncoupler Augments the Anthracyclines Toxicity against Prostate Cancer Cells
Authors: Adamczuk Grzegorz , Humeniuk Ewelina , Adamczuk Kamila , Grabarska Aneta , Dudka Jarosław
Published: October 2022

One of the strategies for the treatment of advanced cancer diseases is targeting the energy metabolism of the cancer cells. The compound 2,4-DNP (2,4-dinitrophenol) disrupts the cell energy metabolism through the ability to decouple oxidative phosphorylation. The aim of the study was to determine the ability of 2,4-DNP to sensitize prostate cancer cells with different metabolic phenotypes to the action of known anthracyclines (doxorubicin and epirubicin). The synergistic effect of the anthracyclines and 2,4-DNP was determined using an MTT assay, apoptosis detection and a cell cycle analysis. The present of oxidative stress in cancer cells was assessed by CellROX, the level of cellular thiols and DNA oxidative damage. The study revealed that the incubation of LNCaP prostate cancer cells (oxidative phenotype) with epirubicin and doxorubicin simultaneously with 2,4-DNP showed the presence of a synergistic effect for both the cytostatics. Moreover, it contributes to the increased induction of oxidative stress, which results in a reduced level of cellular thiols and an increased number of AP sites in the DNA. The synergistic activity may consist of an inhibition of ATP synthesis and the simultaneous production of toxic amounts of ROS, destroying the mitochondria. Additionally, the sensitivity of the LNCaP cell line to the anthracyclines is relatively higher compared to the other two (PC-3, DU-145).
Experimental and Theoretical Study on the Homodimerization Mechanism of 3-Acetylcoumarin
Authors: Simeonova Kristina B. , Koleva Ana I. , Zlatanova Anna-Mariya R. , Petkova-Yankova Nevena I. , Aleksandrov Hristiyan A. , Petkov Petko St. , Nikolova Rositca D.
Published: October 2022

In the present study, the reaction conditions for homodimerization process of 3-acetylcoumarin were achieved under sonication using combination of zinc and metallic salt (ZnCl2 or Zn(OAc)2). Appropriate frequency and sound amplitude have been identified as significant variables for the initiation of the reaction. On the base of first principal calculations and experimental results, the mechanism of the reaction was investigated. The relative stability of the possible intermediates has been compared, including evaluation on the ionic and radical reaction pathways for the dimerization process. Theoretical results suggested that the radical mechanism is more favorable. The C-C bond formation between the calculated radical intermediates occurs spontaneously (∆G = −214 kJ/mol for ZnCl2, −163 kJ/mol in the case of Zn(OAc)2), which proves the possibility for the homodimerization of 3-acetylcoumarin via formation of radical species. Both experimental and theoretical data clarified the activation role of the solvent on the reactivity of the Zn-salt. The formation of complexes of solvent molecules with Zn-atom from the ZnCl2 reduces the energy barrier for the dissociation of Zn-Cl bond and facilitate the formation of the dimeric product.
Synthesis and Characterization of Thermally Stable Lignosulfonamides
Authors: Komisarz Karolina , Majka Tomasz M. , Kurczab Monika , Pielichowski Krzysztof
Published: October 2022

Lignin, a highly aromatic macromolecule building plant cells, and cellulose are two of the most commonly occurring natural polymers. Lignosulfonate is a grade of technical lignin, obtained as a by-product in the paper and wood pulping industries, a result of the used lignin isolation method, i.e., sulfite process. In this work, sodium lignosulfonate is used as a starting material to manufacture sulfonamide derivatives of lignin in a two-step modification procedure. Since this direction of the lignin modification is rather rarely investigated and discussed, it makes a good starting point to expand the state of knowledge and explore the properties of lignosulfonamides. Materials obtained after modification underwent characterization by FTIR, SS-NMR, WAXD, SEM, and TGA. Spectroscopic measurements confirmed the incorporation of dihexylamine into the lignin structure and the formation of lignosulfonamide. The crystalline structure of the material was not affected by the modification procedure, as evidenced by the WAXD, with only minute morphological changes of the surface visible on the SEM imaging. The obtained materials were characterized by improved parameters of thermal stability in relation to the raw material. As-prepared sulfonamide lignin derivatives with a potential application as a filler in biopolymeric composites may become a new class of functional, value-added, sustainable additives.
Peptide-Drug Conjugates: A New Hope for Cancer Management
Authors: Chavda Vivek P. , Solanki Hetvi K. , Davidson Majid , Apostolopoulos Vasso , Bojarska Joanna
Published: October 2022

Cancer remains the leading cause of death worldwide despite advances in treatment options for patients. As such, safe and effective therapeutics are required. Short peptides provide advantages to be used in cancer management due to their unique properties, amazing versatility, and progress in biotechnology to overcome peptide limitations. Several appealing peptide-based therapeutic strategies have been developed. Here, we provide an overview of peptide conjugates, the better equivalents of antibody-drug conjugates, as the next generation of drugs for required precise targeting, enhanced cellular permeability, improved drug selectivity, and reduced toxicity for the efficient treatment of cancers. We discuss the basic components of drug conjugates and their release action, including the release of cytotoxins from the linker. We also present peptide-drug conjugates under different stages of clinical development as well as regulatory and other challenges.
Ultrasound-Assisted Preparation of Maillard Reaction Products Derived from Hydrolyzed Soybean Meal with Meaty Flavor in an Oil-In-Water System
Authors: Ye Yongkang , Dai Shengquan , Zhang Hongyan , He Shudong , Hu Wanwan , Cao Xiaodong , Wei Zhaojun
Published: October 2022

In the present work, we prepared Maillard reaction products (MRPs) derived from enzyme hydrolyzed soybean meal with ultrasound assistance in an oil-(oxidized lard)-in-water system (UEL-MRPs) or oil-free system (UN-MRPs), and the effect of ultrasound on the properties of the obtained MRPs was evaluated. The analysis of fatty acids in lard with different treatments showed that ultrasound can generate more unsaturated fatty acids in the aqueous phase. The UV–Vis absorbances of UEL-MRPs, UN-MRPs, and MRPs obtained in an oil-in-water system (EL-MRPs) and MRPs obtained in an oil-free system (N-MRPs) at 294 and 420 nm indicated that ultrasound could increase the amount of Maillard reaction intermediates and melanoids in the final products of the Maillard reaction. This was in line with the result obtained from color change determination—that ultrasound can darken the resultant MRPs. Volatile analysis showed ultrasound can not only increase the number of volatile substances, but also greatly increase the composition of volatile substances in UEL-MRPs and UN-MRPs, especially the composition of those contributing to the flavor of the MRPs, such as oxygen-containing heterocycles, sulfur-containing compounds, and nitrogen-containing heterocycles. Descriptive sensory evaluation revealed that UN-MRPs and UEL-MRPs had the highest scores in total acceptance, ranking in the top two, and UEL-MRPs had the strongest meaty flavor among these four kinds of MRPs. Furthermore, the measurements of antioxidant activities, including DPPH radical-scavenging activity, hydroxyl radical scavenging ability, and ferric ion reducing antioxidant power, were conducted, showing that UN-MRPs exhibited the highest antioxidant activity among all the MRPs.
Research Progress of Antioxidant Nanomaterials for Acute Pancreatitis
Authors: Zheng Xiaoyi , Zhao Jiulong , Wang Shige , Hu Lianghao
Published: October 2022

Acute pancreatitis (AP) is a complex inflammatory disease caused by multiple etiologies, the pathogenesis of which has not been fully elucidated. Oxidative stress is important for the regulation of inflammation-related signaling pathways, the recruitment of inflammatory cells, the release of inflammatory factors, and other processes, and plays a key role in the occurrence and development of AP. In recent years, antioxidant therapy that suppresses oxidative stress by scavenging reactive oxygen species has become a research highlight of AP. However, traditional antioxidant drugs have problems such as poor drug stability and low delivery efficiency, which limit their clinical translation and applications. Nanomaterials bring a brand-new opportunity for the antioxidant treatment of AP. This review focuses on the multiple advantages of nanomaterials, including small size, good stability, high permeability, and long retention effect, which can be used not only as effective carriers of traditional antioxidant drugs but also directly as antioxidants. In this review, after first discussing the association between oxidative stress and AP, we focused on summarizing the literature related to antioxidant nanomaterials for the treatment of AP and highlighting the effects of these nanomaterials on the indicators related to oxidative stress in pathological states, aiming to provide references for follow-up research and promote clinical application.
Multitargeted Molecular Docking and Dynamic Simulation Studies of Bioactive Compounds from Rosmarinus officinalis against Alzheimer’s Disease
Authors: Mirza Fatima Javed , Zahid Saadia , Amber Sanila , Sumera Sumera , Jabeen Hira , Asim Noreen , Ali Shah Syed Adnan
Published: October 2022

Alzheimer’s disease (AD) has been associated with the hallmark features of cholinergic dysfunction, amyloid beta (Aβ) aggregation and impaired synaptic transmission, which makes the associated proteins, such as β-site amyloid precursor protein cleaving enzyme 1 (BACE I), acetylcholine esterase (AChE) and synapsin I, II and III, major targets for therapeutic intervention. The present study investigated the therapeutic potential of three major phytochemicals of Rosmarinus officinalis, ursolic acid (UA), rosmarinic acid (RA) and carnosic acid (CA), based on their binding affinity with AD-associated proteins. Detailed docking studies were conducted using AutoDock vina followed by molecular dynamic (MD) simulations using Amber 20. The docking analysis of the selected molecules showed the binding energies of their interaction with the target proteins, while MD simulations comprising root mean square deviation (RMSD), root mean square fluctuation (RMSF) and molecular mechanics/generalized born surface area (MM/GBSA) binding free energy calculations were carried out to check the stability of bound complexes. The drug likeness and the pharmacokinetic properties of the selected molecules were also checked through the Lipinski filter and ADMETSAR analysis. All these bioactive compounds demonstrated strong binding affinity with AChE, BACE1 and synapsin I, II and III. The results showed UA and RA to be potential inhibitors of AChE and BACE1, exhibiting binding energies comparable to those of donepezil, used as a positive control. The drug likeness and pharmacokinetic properties of these compounds also demonstrated drug-like characteristics, indicating the need for further in vitro and in vivo investigations to ascertain their therapeutic potential for AD.
Fast Assembly of Metal Organic Framework UiO-66 in Acid-Base Tunable Deep Eutectic Solvent for the Acetalization of Benzaldehyde and Methanol
Authors: Chen Lifang , Ye Xiangzhu , Zhang Ting , Qin Hao , Cheng Hongye , Qi Zhiwen
Published: October 2022

Zirconium-based metal-organic frameworks (MOFs) have attracted extensive attention owing to their robust stability and facile functionalization. However, they are generally prepared in common volatile solvents within a long reaction time. Here, we introduced environmentally friendly, cheap, and acid-based tunable deep eutectic solvents (DESs) formed from 2-methyl imidazole (MIm) and p-toluenesulfonic acid (PTSA) which significantly accelerated the assembly of zirconium-based MOF (UiO-66) without any aggressive additives. PTSA in acidic DES and ZrOCl2 preliminarily formed Zr(IV) oxo organic acid framework, whereas basic DES completely dissolved the ligand of UiO-66. The strong hydrogen bond effect of PTSA and MIm efficiently accelerated the linker exchange between zirconium oxo organic coordination in acidic DES and benzenedicarboxylate linker in weak basic DES within a reaction time of 2 h at 50 °C. Thus, UiO-66 was quickly assembled with small particle sizes and used as an excellent catalyst for the acetalization of benzaldehyde and methanol. Therefore, the developed synthesis approach provides a new green strategy to quickly prepare and design various structures of metal-based compounds under mild reaction conditions.
Ce-Loaded HZSM-5 Composite for Catalytic Deoxygenation of Algal Hydrolyzed Oil into Hydrocarbons and Oxygenated Compounds
Authors: Nuhma Mustafa Jawad , Alias Hajar , Tahir Muhammad , Jazie Ali A.
Published: October 2022

Despite the extensive research into the catalytic uses of zeolite-based catalysts, these catalysts have a limited useful lifetime because of the deactivating effect of coke production. This study looks at the use of Cerium (Ce) loaded HZSM-5 zeolite catalysts in the hydrocarbon and oxygenated chemical conversion from Chlorella Vulgaris microalgae crude oil. Characterization of structure, morphology, and crystallinity was performed after the catalysts were manufactured using the impregnation technique. Soxhlet extraction was carried out to extract the crude oil of microalgae. Transesterification reaction was used to produce algal hydrolyzed oil (HO), and the resulting HO was put to use in a batch reactor at 300 °C, 1000 rpm, 7 bars of nitrogen pressure, a catalyst to the algal HO ratio of 15% (wt. %), and a retention time of 6 h. To determine which Ce-loaded HZSM-5 catalysts would be most effective in converting algal HO into non-oxygenated molecules (hydrocarbons), we conducted a series of tests. Liquid product characteristics were analyzed for elemental composition, higher heating value (HHV), atomic ratios of O/C and H/C, and degree of deoxygenation (DOD%). Results were categorized into three groups: product yield, chemical composition, and carbon number distribution. When Cerium was added to HZSM-5 zeolite at varying loading percentages, the zeolite’s acid sites became more effective in facilitating the algal HO conversion. The results showed that 10%Ce/HZSM-5 had the greatest conversion of the algal HO, the yield of hydrocarbons, HHV, and DOD% (98.2%, 30%, 34.05 MJ/Kg, and 51.44%, respectively) among all the synthesized catalysts in this research. In conclusion, the physical changes seen in the textural characteristics may be attributed to Cerium-loading on the parent HZSM-5; nevertheless, there is no direct association between the physical features and the hydrocarbons yield (%). The primary impact of Cerium alteration of the parent HZSM-5 zeolite was to change the acidic sites required to boost the conversion (%) of the algal HO in the catalytic deoxygenation process, which in turn increased the hydrocarbons yield (%), which in turn increased the HHV and DOD%.
Comparison of the Hydride-Donating Ability and Activity of Five- and Six-Membered Benzoheterocyclic Compounds in Acetonitrile
Authors: Zhang Jin-Ye , Zhu Xiao-Qing
Published: October 2022

In this work, we compared the hydride-donating ability of five-membered benzoheterocyclic compounds (FMB) and six-membered benzoheterocyclic compounds (SMB), isomers of DMBI and DMIZ and of DMPZ and DMPX, using detailed thermodynamic driving forces [ΔGo (XH)], kinetic intrinsic barriers (ΔG≠XH/X), and thermo-kinetic parameters [ΔG≠° (XH)]. For DMBI and DMIZ, the values of ΔGo (XH), ΔG≠XH/X, and ΔG≠° (XH) are 49.2 and 53.7 kcal/mol, 35.88 and 42.04 kcal/mol, and 42.54 and 47.87 kcal/mol, respectively. For DMPZ and DMPX, the values of ΔGo (XH), ΔG≠XH/X, and ΔG≠° (XH) are 73.2 and 79.5 kcal/mol, 35.34 and 25.02 kcal/mol, and 54.27 and 52.26 kcal/mol, respectively. It is easy to see that the FMB isomers are thermodynamically dominant and that the SMB isomers are kinetically dominant. Moreover, according to the analysis of ΔG≠° (XH), compared to the SMB isomers, the FMB isomers have a stronger hydride-donating ability in actual chemical reactions.
Fluorescence Monitoring Oxidation of Extra Virgin Olive Oil Packed in Different Containers
Authors: Martín-Tornero Elísabet , Fernández Antonio , Durán-Merás Isabel , Martín-Vertedor Daniel
Published: October 2022

‘Picual’ olive oil was stored in different types of containers for 10 months and monitored via quality parameters. In combination with the mentioned analysis, non-destructive fluorescence spectroscopy was performed combined with multivariate analysis to monitor and quantify oil quality levels. Excitation emission matrices (EMMs) were analyzed using parallel factor analysis (PARAFAC). According to the quality parameters, it was observed that Transparent Crystal (TC) and Opaque Crystal (OC) samples were the ones that deteriorated faster due to their higher exposure to light in comparison with Plastic (P) and Canned (C) samples. In a fast and non-destructive manner, the fluorescence spectroscopy-based prototype successfully monitored the oxidation changes in the EVOOs. Unfolded partial least squares (U-PLS) was used to generate a regression model to quantify quality parameters. Good correlation coefficients were found for the peroxide index, K232 and the oxidative stability index (r2 between 0.90 and 0.94 for cross-validation and validation). For all of that, the results obtained confirmed the ability of fluorescence spectroscopy to monitor the quality of olive oil and EEMs combined with U-PLS can be used to analyze these parameters, eluding the classical methods.
The Antiviral Activity of Caprylic Monoglyceride against Porcine Reproductive and Respiratory Syndrome Virus In Vitro and In Vivo
Authors: Yang Luyu , Wen Jianhua , Zhang Yang , Liu Zheyan , Luo Zhipeng , Xu Lei , Lai Siyuan , Tang Huaqiao , Sun Xiangang , Hu Youjun , Zhu Ling , Xu Zhiwen
Published: October 2022

Porcine reproductive and respiratory syndrome (PRRS) is a disease with a major economic impact in the global pig industry, and this study aims to identify potential anti-PRRSV drugs. We examined the cytotoxicity of four medium-chain fatty acids (MCFAs) (caprylic, caprylic monoglyceride, decanoic monoglyceride, and monolaurin) and their inhibition rate against PRRSV. Then the MCFAs with the best anti-PRRSV effect in in vitro assays were selected for subsequent in vivo experiments. Potential anti-PRRSV drugs were evaluated by viral load assay, pathological assay, and cytokine level determination. The results showed that caprylic monoglyceride (CMG) was the least toxic to cells of the four MCFAs, while it had the highest PRRSV inhibition rate. Then the animals were divided into a low-CMG group, a medium-CMG group, and a high-CMG group to conduct the in vivo evaluation. The results indicated that piglets treated with higher concentrations of caprylic monoglyceride were associated with lower mortality and lower viral load after PRRSV infection (p < 0.05). The pulmonary pathology of the piglets also improved after CMG treatment. The levels of pro-inflammatory cytokines (IL-6, IL-8, IL-1β, IFN-γ, TNF-α) were significantly downregulated, and the levels of anti-inflammatory cytokine (IL-10) were significantly upregulated in the CMG-treated piglets compared to the positive control group (p < 0.05). Taken together, the present study revealed for the first time that caprylic monoglyceride has strong antiviral activity against PRRSV in vitro and in vivo, suggesting that caprylic monoglyceride could potentially be used as a drug to treat PRRS infection.
Synthesis and Characterization of New Ruthenium (II) Complexes of Stoichiometry [Ru(p-Cymene)Cl2L] and Their Cytotoxicity against HeLa-Type Cancer Cells
Authors: Fuster Marta G. , Moulefera Imane , Montalbán Mercedes G. , Pérez José , Víllora Gloria , García Gabriel
Published: October 2022

When the [Ru(p-cymene)(μ-Cl)Cl]2 complex is made to react, in dichloromethane, with the following ligands: 2-aminobenzonitrile (2abn), 4-aminobenzonitrile (4abn), 2-aminopyridine (2ampy) and 4-aminopyridine (4ampy), after addition of hexane, the following compounds are obtained: [Ru(p-cymene)Cl2(2abn)] (I), [Ru(p-cymene)Cl2(4abn)] (II), [Ru(p-cymene)Cl2(2ampy] (III) and [Ru(p-cymene)Cl2(μ-(4ampy)] (IV). All the compounds are characterized by elemental analysis of carbon, hydrogen and nitrogen, proton nuclear magnetic resonance, COSY 1H-1H, high-resolution mass spectrometry (ESI), thermogravimetry and single-crystal X-ray diffraction (the crystal structure of III is reported and compared with the closely related literature of II). The cytotoxicity effects of complexes were described for cervical cancer HeLa cells via 3-(4.5-dimethylthiazol-2-yl)-2.5-diphenyltetrazolium bromide (MTT) assay. The results demonstrate a low in vitro anticancer potential of the complexes.
Electro-Optical Characteristics of Polymer Dispersed Liquid Crystal Doped with MgO Nanoparticles
Authors: Zhao Yuzhen , Li Jinqian , Yu Yang , Zhao Yang , Guo Zhun , Yao Ruijuan , Gao Jianjing , Zhang Yongming , Wang Dong
Published: October 2022

In this paper, inorganic oxide MgO nanoparticles-doped polymer dispersed liquid crystal (PDLC) films were made from a mixture of the prepolymer, SLC1717 liquid crystal, and MgO nanoparticles by the polymerization induced phase separation (PIPS) process. To observe the effect of MgO concentration, PDLC was dispersed with 0.2, 0.4, 0.6, and 0.8 wt.% MgO. Electro-optical properties of the films have been investigated using LCD parameter meter and Scanning Electron Microscope (SEM) at room temperature. It is established that MgO nanoparticles affect the microstructure of PDLC films significantly because of the formed agglomerates of MgO nanoparticles. Results show an improvement in the electro-optical properties and a decrease in the driving voltage for doped systems with MgO nanoparticles. When the doping amount of MgO is 0.8 wt.%, the threshold voltage (Vth) is reduced to about 7.5 V. Therefore, MgO-doped PDLC is expected to become an excellent choice in the field of energy-saving.
New, Eco-Friendly Method for Synthesis of 3-Chlorophenyl and 1,1′-Biphenyl Piperazinylhexyl Trazodone Analogues with Dual 5-HT1A/5-HT7 Affinity and Its Antidepressant-like Activity
Authors: Zaręba Przemysław , Partyka Anna , Latacz Gniewomir , Satała Grzegorz , Zajdel Paweł , Jaśkowska Jolanta
Published: October 2022

Serotonin 5-HT1A and 5-HT7 receptors play an important role in the pathogenesis and pharmacotherapy of depression. Previously identified N-hexyl trazodone derivatives, 2-(6-(4-(3-chlorophenyl)piperazin-1-yl)hexyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (7a·HCl), with high affinity for 5-HT1AR and 2-(6-(4-([1,1′-biphenyl]-2-yl)piperazin-1-yl)hexyl)-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride (7b·HCl), a dual-acting 5-HT1A/5-HT7 receptor ligand, were prepared with a new microwave-assisted method. The protocol for the synthesis of 7a and 7b involved reductive alkylation under a mild reducing agent. We produced the final compounds with yield of 56–63% using ethanol or 51–56% in solvent-free conditions in 4 min. We then determined the 5-HT7R binding mode for compounds 7a and 7b using in silico methods and assessed the preliminary ADME and safety properties (hepatotoxicity and CYP3A4 inhibition) using in vitro methods for 7a·HCl and 7b·HCl. Furthermore, we evaluated antidepressant-like activity of the dual antagonist of 5-HT1A/5-HT7 receptors (7b·HCl) in the forced swim test (FST) in mice. The 5-HT1AR ligand (7a·HCl) with a much lower affinity for 5-HT7R compared to that of 7b·HCl was tested comparatively. Both compounds showed antidepressant activity, while 5-HT1A/5-HT7 double antagonist 7b·HCl showed a stronger and more specific response.
Untargeted Metabolomics Reveals New Markers of Food Processing for Strawberry and Apple Purees
Authors: Salazar-Orbea Gabriela , García-Villalba Rocío , Sánchez-Siles Luis M. , Tomás-Barberán Francisco A. , García Carlos J.
Published: October 2022

In general, food processing and its conditions affect nutrients, bioactive compounds, and sensory characteristics of food products. This research aims to use a non-targeted metabolomics approach based on UPLC-ESI-QTOF-MS to determine how fruit processing can affect the metabolic profile of fruits and, through a comprehensive metabolic analysis, identify possible markers to assess their degree of processing. The present study uses a real case from the food industry to evaluate markers of the processing of strawberry and apple purees industrially elaborated with different processing techniques and conditions. The results from the multivariate analysis revealed that samples were grouped according to the type of processing, evidencing changes in their metabolic profiles and an apparent temperature-dependent effect. These metabolic profiles showed changes according to the relevance of thermal conditions but also according to the exclusively cold treatment, in the case of strawberry puree, and the pressure treatment, in the case of apple puree. After data analysis, seven metabolites were identified and proposed as processing markers: pyroglutamic acid, pteroyl-D-glutamic acid, 2-hydroxy-5-methoxy benzoic acid, and 2-hydroxybenzoic acid β-d-glucoside in strawberry and di-hydroxycinnamic acid glucuronide, caffeic acid and lysoPE(18:3(9Z,12Z,15Z)/0:0) in apple purees. The use of these markers may potentially help to objectively measure the degree of food processing and help to clarify the controversial narrative on ultra-processed foods.
The Analytical Strategy of “Ion Induction and Deduction Based on Net-Hubs” for the Comprehensive Characterization of Naringenin Metabolites In Vivo and In Vitro Using a UHPLC-Q-Exactive Orbitrap Mass Spectrometer
Authors: Cui Yi-Fang , Zhang Wen-Wen , Li Ya-Nan , Xu Jing , Lan Xian-Ming , Song Shu-Yi , Lin Yong-Qiang , Dai Long , Zhang Jia-Yu
Published: October 2022

Naringenin (5,7,4′-trihydroxyflavanone), belonging to the flavanone subclass, is associated with beneficial effects such as anti-oxidation, anticancer, anti-inflammatory, and anti-diabetic effects. Drug metabolism plays an essential role in drug discovery and clinical safety. However, due to the interference of numerous endogenous substances in metabolic samples, the identification and efficient characterization of drug metabolites are difficult. Here, ultra-high-performance liquid chromatography (UHPLC) coupled with high-resolution mass spectrometry was used to obtain mass spectral information of plasma (processed by three methods), urine, feces, liver tissue, and liver microsome samples. Moreover, a novel analytical strategy named “ion induction and deduction” was proposed to systematically screen and identify naringenin metabolites in vivo and in vitro. The analysis strategy was accomplished by the establishment of multiple “net-hubs” and the induction and deduction of fragmentation behavior. Finally, 78 naringenin metabolites were detected and identified from samples of rat plasma, urine, feces, liver tissue, and liver microsomes, of which 67 were detected in vivo and 13 were detected in vitro. Naringenin primarily underwent glucuronidation, sulfation, oxidation, methylation, ring fission, and conversion into phenolic acid and their composite reactions. The current study provides significant help in extracting target information from complex samples and sets the foundation for other pharmacology and toxicology research.
A Theoretical Study of the C–X Bond Cleavage Mediated by Cob(II)Aloxime
Authors: Seijas Luis E. , Zambrano Cesar H. , Rodríguez Vladimir , Alí-Torres Jorge , Rincón Luis , Torres F. Javier
Published: October 2022

The C–X bond cleavage in different methyl halides (CH3X; X = Cl, Br, I) mediated by 5,6-dimethylbenzimidazole-bis(dimethylglyoximate)cobalt(II) (CoIICbx) was theoretically investigated in the present work. An SN2-like mechanism was considered to simulate the chemical process where the cobalt atom acts as the nucleophile and the halogen as the leaving group. The reaction path was computed by means of the intrinsic reaction coordinate method and analyzed in detail through the reaction force formalism, the quantum theory of atoms in molecules (QTAIM), and the calculation of one-electron density derived quantities, such as the source function (SF) and the spin density. A thorough comparison of the results with those obtained in the same reaction occurring in presence of 5,6-dimethylbenzimidazole-bis(dimethylglyoximate)cobalt(I) (CoICbx) was conducted to reveal the main differences between the two cases. The reactions mediated by CoIICbx were observed to be endothermic and possess higher activation energies in contrast to the reactions where the CoICbx complex is present. The latter was supported by the reaction force results, which suggest a relationship between the activation energy and the ionization potentials of the different nucleophiles present in the cleavage reaction. Moreover, the SF results indicates that the lower axial ligand (i.e., 5,6-dimethylbenzimidazole) exclusively participates on the first stage of the reaction mediated by the CoIICbx complex, while for the CoICbx case, it appears to have an important role along the whole process. Finally, the QTAIM charge analysis indicates that oxidation of the cobalt atom occurs in both cases; at the same time, it suggests the formation of an uncommon two-center one-electron bond in the CoIICbx case. The latter was confirmed by means of electron localization calculations, which resulted in a larger electron count at the Co–C interatomic region for the CoICbx case upon comparison with its CoIICbx counterpart.
Phytochemistry Meets Geochemistry—Blumenol C Sulfate: A New Megastigmane Sulfate from Palicourea luxurians (Rubiaceae: Palicoureeae)
Authors: Kornpointner Christoph , Hochenegger Nadine J. , Shi Bao-Bao , Berger Andreas , Theiner Johannes , Brecker Lothar , Schinnerl Johann
Published: October 2022

There is a previously neglected influence of geochemical conditions on plant phytochemistry. In particular, high concentrations of dissolved salts can affect their biosynthesis of natural products. Detoxification is most likely an important aspect for the plant, but additional natural products can also give it an expanded range of bioactivities. During the phytochemical analysis a Palicourea luxurians plant collected in a sulfate-rich environment (near the Río Sucio, Costa Rica) showed an interesting natural product in this regard. The structure of this compound was determined using spectroscopic and computational methods (NMR, MS, UV, IR, CD, optical rotation, quantum chemical calculations) and resulted in a megastigmane sulfate ester possessing a β-ionone core structure, namely blumenol C sulfate (1, C13H22O5S). The levels of sulfur and sulfate ions in the leaves of the plant were determined using elemental analysis and compared to the corresponding levels in comparable plant leaves from a less sulfate-rich environments. The analyses show the leaves from which we isolated blumenol C sulfate (1) to contain 35% more sulfur and 80% more sulfate than the other samples. Antimicrobial and antioxidant activities of compound 1 were tested against Escherichia coli, E. coli ampR and Bacillus subtilis as well as measured using complementary in vitro FRAP and ATBS assays, respectively. These bioactivities are comparable to those determined for structurally related megastigmanes. The sulfur and sulfate content of the plant leaves from the sulfate-rich environment was significantly higher than that of the other plants. Against this background of salt stress, we discuss a possible biosynthesis of blumenol C sulfate (1). Furthermore, there appears to be no benefit for the plant in terms of extended bioactivities. Hence, the formation of blumenol C sulfate (1) probably primarily serves the plant detoxification process.
Design and Screening of New Lead Compounds for Autism Based on QSAR Model and Molecular Docking Studies
Authors: Chen Yongjian , Ma Kang , Xu Peilong , Si Hongzong , Duan Yunbo , Zhai Honglin
Published: October 2022

The purpose of the present study aims to develop a satisfactory model for predicting pro-social and pro-cognitive effects on azinesulfonamides of cyclic amine derivatives as potential antipsychotics. The three dimensional-quantitative structure affinity relationship (3D-QSAR) study was performed on a series of azinesulfonamides of cyclic amine derivative using comparative molecular similarity indices analysis (CoMSIA). The best statistical model of CoMSIA q2, r2, SEE and F values are 0.664, 0.973, 0.087, and 82.344, respectively. Based on the model contour maps and the highest activity structure of the 43rd compound, serial new structures were designed and the 43k1 compound was selected as the best structure. The dock results showed a good binding of 43k1 with the protein (PDB ID: 6A93). The QSAR model analysis of the contour maps can help us to provide guidelines for finding novel potential antipsychotics.
Planispine A Sensitized Cancer Cells to Cisplatin by Inhibiting the Fanconi Anemia Pathway
Authors: Singh Thangjam Davis , Singh Ningthoujam Indrajit , Devi Khuraijam Mrinalini , Meiguilungpou Remmei , Khongsai Lhaineichong , Singh Lisam Shanjukumar , Bal Naresh Chandra , Swapana Ningombam , Singh Chingakham Brajakishor , Singh Thiyam Ramsing
Published: October 2022

The use of cisplatin as a chemotherapeutic drug is impeded by the development of drug resistance. Combination therapies of a chemosensitizer for cisplatin have been studied, but with little success, and the search for an effective combination therapy is continuing. Our earlier reports have shown that Zanthoxylum armatum DC. extract enhances the apoptotic effect of cisplatin in cancer cell lines. In this study, we purified and identified the bioactive phytocompound through bio-assay-guided purification, using column chromatography and HPLC. Chemical characterization using NMR and mass spectrometry revealed the compound as planispine A, with molecular structure C25H30O6 and molecular weight, 426.16 g/mol. Planispine A was found to inhibit cancer cell proliferation in a dose-dependent manner and to sensitize the cancer cells to cisplatin-augmented apoptotic cell death, in a caspase-dependent manner. A combination of planispine A and cisplatin induced S-phase cell cycle arrest, and reduced the expression of survival proteins such as cyclin D1. Interestingly, planispine A inhibits the Fanconi anemia pathway, as shown by reduced FANCD2 foci formation and FANCD2 monoubiquitination, which revealed the molecular mechanism of chemo-sensitization of cancer cells to cisplatin. Evaluation of this combination therapy in cisplatin-resistant tumors may lead to more efficient cisplatin treatment.
How to Sabbatical Successfully (and Reinvigorate Your Career)?
Authors: Reichardt Juergen K. V.
Published: October 2022

Sabbaticals should be a main feature of every academic career. This article provides some personal insights from experience along with an analysis of the benefits to the home and host institutions. Furthermore, the paper includes extensive and easy-to-follow timelines and guides for one’s own sabbatical. It is hoped that this article will expand the use of sabbaticals for everyone’s benefit in academia.
Reproducible Non-Volatile Multi-State Storage and Emulation of Synaptic Plasticity Based on a Copper-Nanoparticle-Embedded HfOx/ZnO Bilayer with Ultralow-Switching Current and Ideal Data Retention
Authors: Chen Shuai , Chen Hao , Lai Yunfeng
Published: October 2022

The multilevel properties of a memristor are significant for applications in non-volatile multi-state storage and electronic synapses. However, the reproducibility and stability of the intermediate resistance states are still challenging. A stacked HfOx/ZnO bilayer embedded with copper nanoparticles was thus proposed to investigate its multilevel properties and to emulate synaptic plasticity. The proposed memristor operated at the microampere level, which was ascribed to the barrier at the HfOx/ZnO interface suppressing the operational current. Compared with the stacked HfOx/ZnO bilayer without nanoparticles, the proposed memristor had a larger ON/OFF resistance ratio (~330), smaller operational voltages (absolute value < 3.5 V) and improved cycle-to-cycle reproducibility. The proposed memristor also exhibited four reproducible non-volatile resistance states, which were stable and well retained for at least ~1 year at 85 °C (or ~10 years at 70 °C), while for the HfOx/ZnO bilayer without copper nanoparticles, the minimum retention time of its multiple resistance states was ~9 days at 85 °C (or ~67 days at 70 °C). Additionally, the proposed memristor was capable of implementing short-term and long-term synaptic plasticities.
Phosphate Dysregulation and Metabolic Syndrome
Authors: Mironov Nikolay , Haque Mainul , Atfi Azeddine , Razzaque Mohammed S.
Published: October 2022

Phosphorus is one of the most abundant minerals in the human body. It is essential for almost all biochemical activities through ATP formation, intracellular signal transduction, cell membrane formation, bone mineralization, DNA and RNA synthesis, and inflammation modulation through various inflammatory cytokines. Phosphorus levels must be optimally regulated, as any deviations may lead to substantial derangements in glucose homeostasis. Clinical studies have reported that hyperphosphatemia can increase an individual’s risk of developing metabolic syndrome. High phosphate burden has been shown to impair glucose metabolism by impairing pancreatic insulin secretion and increasing the risk of cardiometabolic disorders. Phosphate toxicity deserves more attention as metabolic syndrome is being seen more frequently worldwide and should be investigated further to determine the underlying mechanism of how phosphate burden may increase the cardiometabolic risk in the general population.