bluuebunny/crossref_metadata_2025 huggingface dataset:
High Percentage of Complications and Re-Operations Following Dynamic Locking Plate Fixation with the Targon® FN for Intracapsular Proximal Femoral Fractures: An Analysis of Risk Factors
Authors: Kuner Emanuel , Gütler Jens , Delagrammaticas Dimitri E. , van de Wall Bryan J. M. , Knobe Matthias , Beeres Frank J. P. , Babst Reto , Link Björn-Christian
Published: December 2022

The ideal surgical treatment of femoral neck fractures remains controversial. When treating these fractures with internal fixation, many fixation constructs exist. The primary aim of this study was to evaluate the incidence and specific risk factors associated with complication and re-operation following fixation of intracapsular proximal femoral fractures using the Targon-FN system (B.Braun Melsungen AG). A secondary aim was to identify if lateral prominence of the implant relative to the lateral border of the vastus ridge was a specific risk factor for elective plate removal. Methodically, a retrospective case series was conducted of all consecutive adult patients treated at a single level 1 trauma center in Switzerland for an intracapsular proximal femoral fracture with the Targon-FN. Demographic data were collected. Patients with a follow-up of less than three months were excluded. Complications as well as plate position were recorded. Statistical analysis to identify specific risk factors for re-operation and complications was performed. In result, a total of 72 cases with intracapsular femoral neck fractures were treated with the Targon-FN locking plate system between 2010 and 2017. Thirty-four patients (47.2%) experienced one or more complications. The most common complication was mechanical irritation of the iliotibial band (ITB) (23.6%, n = 17). Complications included intraarticular screw perforation (6.9%, n = 5), avascular necrosis (5.6%, n = 4), non-union (5.6%, n = 4) among others. In total, 46 re-operations were required. Younger age, fracture displacement and time to postoperative weight bearing were identified as risk factors for re-operation. In conclusion, intracapsular femoral neck fractures treated with the Targon-FN system resulted in a high rate of post-operative complication and re-operation. Statistical analysis revealed patient age, fracture displacement, time to postoperative full weight bearing were risk factors for re-operation. The main limitation is the limited number of cases and a short follow-up of less than 12 months in a subgroup of our patients.
Qualitative Verbal Fluency Components as Prognostic Factors for Developing Alzheimer’s Dementia and Mild Cognitive Impairment: Results from the Population-Based HELIAD Cohort
Authors: Liampas Ioannis , Folia Vasiliki , Zoupa Elli , Siokas Vasileios , Yannakoulia Mary , Sakka Paraskevi , Hadjigeorgiou Georgios , Scarmeas Nikolaos , Dardiotis Efthimios , Kosmidis Mary H.
Published: December 2022

Background and Objectives: The aim of the present study was to investigate the prognostic value of the qualitative components of verbal fluency (clustering, switching, intrusions, and perseverations) on the development of mild cognitive impairment (MCI) and dementia. Materials and Methods: Participants were drawn from the multidisciplinary, population-based, prospective HELIAD (Hellenic Longitudinal Investigation of Aging and Diet) cohort. Two participant sets were separately analysed: those with normal cognition and MCI at baseline. Verbal fluency was assessed via one category and one letter fluency task. Separate Cox proportional hazards regressions adjusted for important sociodemographic parameters were performed for each qualitative semantic and phonemic verbal fluency component. Results: There were 955 cognitively normal (CN), older (72.9 years ±4.9), predominantly female (~60%) individuals with available follow-up assessments after a mean of 3.09 years (±0.83). Among them, 34 developed dementia at follow-up (29 of whom progressed to Alzheimer’s dementia (AD)), 160 developed MCI, and 761 remained CN. Each additional perseveration on the semantic condition increased the risk of developing all-cause dementia and AD by 52% and 55%, respectively. Of note, participants with two or more perseverations on the semantic task presented a much more prominent risk for incident dementia compared to those with one or no perseverations. Among the remaining qualitative indices, none were associated with the hazard of developing all-cause dementia, AD, and MCI at follow-up. Conclusions: Perseverations on the semantic fluency condition were related to an increased risk of incident all-cause dementia or AD in older, CN individuals.
Prebiotic Functions of Konjac Root Powder in Chocolate Milk Enriched with Free and Encapsulated Lactic Acid Bacteria
Authors: Ajlouni Said , Hossain Md. Nur , Tang Ziqian
Published: December 2022

This study investigated the prebiotic functions of Konjac root powder (KRP) when added to chocolate milk (ChM) enriched with 2% of free or microencapsulated lactic acid bacteria (FLAB or ELAB). The effects of different concentrations of KRP (0%, 2% and 4%) and refrigerated storage time on the physical, chemical and microbiological characteristics of this chocolate milk were examined. The results show that pH significantly declined (p < 0.05), while titratable acidity increased in all ChM samples with KRP and FLAB or ELAB during refrigerated storage. The pH values ranged from 6.0 ± 0.03 in samples enriched ELAB and 4% KRP to 6.33 ± 0.03 in ChM enriched with FLAB and 2% KRP. Viscosity of ChM was affected mainly by the added amounts of KRP and storage time. The largest viscosity (5500 cP) was observed in all samples containing 4% KPR on day zero and decreased significantly (p < 0.05) over storage time to reach 2800 cP in ChM samples containing 0% LAB and 4% KRP after 21 days of storage. Changes in LAB counts proved the initial hypothesis that KRP could act as prebiotics in the presence of LAB using chocolate milk as a carrier. The initial LAB counts in inoculated samples on day zero of refrigeration storage were not significantly different (p > 0.05) among all treatments. However, ChM enriched with 2% and 4% KRP and ELAB revealed significantly (p < 0.05) larger LAB counts (4.91 ± 0.78 and 5.0 ± 0.57 log CFU/mL, respectively) than the control (3.85 ± 0.55 log CFU/mL) after 21 days of storage.
Tailoring the AIE Chromogen 2-(2-Hydroxyphenyl)benzothiazole for Use in Enzyme-Triggered Molecular Brachytherapy
Authors: Wu Zhiyuan , Dou Jinghuai , Nguyen Kathy-Uyen , Eppley Jayden C. , Siwawannapong Kittipan , Zhang Yunlong , Lindsey Jonathan S.
Published: December 2022

A targeted strategy for treating cancer is antibody-directed enzyme prodrug therapy, where the enzyme attached to the antibody causes conversion of an inactive small-molecule prodrug into an active drug. A limitation may be the diffusion of the active drug away from the antibody target site. A related strategy with radiotherapeutics entails enzymatically promoted conversion of a soluble to insoluble radiotherapeutic agent, thereby immobilizing the latter at the target site. Such a molecular brachytherapy has been scarcely investigated. In distinct research, the advent of molecular designs for aggregation-induced emission (AIE) suggests translational use in molecular brachytherapy. Here, several 2-(2-hydroxyphenyl)benzothiazole substrates that readily aggregate in aqueous solution (and afford AIE) were elaborated in this regard. In particular, (1) the 2-(2-hydroxyphenyl) unit was derivatized to bear a pegylated phosphodiester that imparts water solubility yet undergoes enzymatic cleavage, and (2) a p-phenol unit was attached to the benzo moiety to provide a reactive site for final-step iodination (here examined with natural abundance iodide). The pegylated phosphodiester-iodinated benzothiazole undergoes conversion from aqueous-soluble to aqueous-insoluble upon treatment with a phosphatase or phosphodiesterase. The aggregation is essential to molecular brachytherapy, whereas the induced emission of AIE is not essential but provides a convenient basis for research development. Altogether, 21 compounds were synthesized (18 new, 3 known via new routes). Taken together, blending biomedical strategies of enzyme prodrug therapy with materials chemistry concerning substances that undergo AIE may comprise a step forward on the long road toward molecular brachytherapy.
Can the Fluxionality in Borospherene Influence the Confinement-Induced Bonding between Two Noble Gas Atoms?
Authors: Pal Ranita , Chattaraj Pratim Kumar
Published: December 2022

A density functional theory study is performed to determine the stability and bonding in the neon dimer inside the B30N30 fullerene cage, the fluxional B40 cage, and within non-fluxional cages such as B12N12 and C60. The nature of bonding in the Ne2 encapsulated B40 is compared with the that in other cages in an attempt to determine whether any possible alterations are brought about by the dynamical nature of the host cage apart from the associated confinement effects. The bonding analysis includes the natural bond order (NBO), Bader’s Atoms-in-Molecules electron density analysis (AIM), and energy decomposition analysis (EDA), revealing the non-covalent nature of the interactions between the Ne atoms and that between the Ne and the cage atoms. The formation of all the Ne2@cage systems is thermochemically unfavourable, the least being that for the B30N30 cage, which can easily be made favourable at lower temperatures. The Ne-Ne distance is lowest in the smallest cage and increases as the cage size increase due to steric relaxation experienced by the dimer. The dynamical picture of the systems is investigated by performing ab initio molecular dynamics simulations using the atom-centred density matrix propagation (ADMP) technique, which shows the nature of the movement of the dimer inside the cages, and by the fact that since it moves as a single entity, a weak bonding force holds them together, apart from their proven kinetic stability.
An Analysis of the Plant- and Animal-Based Hydrocolloids as Byproducts of the Food Industry
Authors: Waraczewski Robert , Muszyński Siemowit , Sołowiej Bartosz G.
Published: December 2022

Hydrocolloids are naturally occurring polysaccharides or proteins, which are used to gelatinize, modify texture, and thicken food products, and are also utilized in edible films and drug capsule production. Moreover, several hydrocolloids are known to have a positive impact on human health, including prebiotics rich in bioactive compounds. In this paper, plant-derived hydrocolloids from arrowroot (Maranta arundinacea), kuzu (Pueraria montana var lobata), Sassafras tree (Sassafras albidum) leaves, sugarcane, acorn, and animal-derived gelatin have been reviewed. Hydrocolloid processing, utilization, physicochemical activities, composition, and health benefits have been described. The food industry generates waste such as plant parts, fibers, residue, scales, bones, fins, feathers, or skin, which are often discarded back into the environment, polluting it or into landfills, where they provide no use and generate transport and storage costs. Food industry waste frequently contains useful compounds, which can yield additional income if acquired, thus decreasing the environmental pollution. Despite conventional manufacturing, the aforementioned hydrocolloids can be recycled as byproducts, which not only minimizes waste, lowers transportation and storage expenses, and boosts revenue, but also enables the production of novel, functional, and healthy food additives for the food industry worldwide.
Ethnobotanical, Phytochemistry, and Pharmacological Activity of Onosma (Boraginaceae): An Updated Review
Authors: Jabbar Ahmed Aj. , Abdullah Fuad O. , Hassan Abdullah Othman , Galali Yaseen , Hassan Rawaz Rizgar , Rashid Essa Q. , Salih Musher Ismael , Aziz Kareem Fattah
Published: December 2022

The genus Onosma belongs to the Boraginaceae family and contains over 230 species. The present review sheds light on the ethnopharmacology, phytoconstituents, bioactivity, and toxicology of the Onosma species from previous investigations. Furthermore, the paper also highlights the unresolved issues for the future investigations. The review included previous studies of the genus Onosma available from Google Scholar and Baidu Scholar, Science Direct, SciFinder, Wiley Online Library, and Web of Science. Until now, more than 200 chemical compounds have been detected from the genus Onosma, including naphthoquinone (33), flavonoids (30), hydrocarbon (23), phenolic (22), ester (17), alkaloids (20), aromatics (12), carboxylic acid (11), fatty acids (9), terpenoids (10), while the most important ones are rosmarinic, ferulic, protocatechuic, chlorogenic, caffeic, p-coumaric acids, and apigenin. The Onosma species are reported as traditional medicine for wound healing, heart disease, and kidney disorders, while the pharmacological investigations revealed that the extracts and the phytochemicals of Onosma species have different therapeutic properties including antioxidant, enzyme inhibitory, antitumor, hepatoprotective, antiviral, anti-inflammatory, and antimicrobial actions. The summarized knowledge in this review provides valuable ideas for the current and future drug discovery and a motivation for further investigation on the genus Onosma.
Solanum elaeagnifolium Var. Obtusifolium (Dunal) Dunal: Antioxidant, Antibacterial, and Antifungal Activities of Polyphenol-Rich Extracts Chemically Characterized by Use of In Vitro and In Silico Approaches
Authors: Bouslamti Mohammed , Metouekel Amira , Chelouati Tarik , El Moussaoui Abdelfattah , Barnossi Azeddin El , Chebaibi Mohamed , Nafidi Hiba-Allah , Salamatullah Ahmad Mohammad , Alzahrani Abdulhakeem , Aboul-Soud Mourad A. M. , Bourhia Mohammed , Lyoussi Badiaa , Benjelloun Ahmed Samir
Published: December 2022

The present work was designed to study the chemical composition and the antioxidant and antimicrobial properties of fruits (SFr) and leaf (SF) extracts from Solanum elaeagnifolium var. obtusifolium (Dunal) Dunal (S. elaeagnifolium). The chemical composition was determined using HPLC-DAD analysis. Colorimetric methods were used to determine polyphenols and flavonoids. Antioxidant capacity was assessed with DPPH, TAC, and FRAP assays. Antimicrobial activity was assessed using disk diffusion and microdilution assays against two Gram (+) bacteria (Staphylococcus aureus ATCC-6633 and Bacillus subtilis DSM-6333) and two Gram (-) bacteria (Escherichia coli K-12 and Proteus mirabilis ATCC-29906), while the antifungal effect was tested vs. Candida albicans ATCC-1023. By use of in silico studies, the antioxidant and antimicrobial properties of the studied extracts were also investigated. HPLC analysis showed that both fruits and leaf extracts from S. elaeagnifolium were rich in luteolin, quercetin, gallic acid, and naringenin. Both SFr and SF generated good antioxidant activity, with IC50 values of 35.15 ± 6.09 μg/mL and 132.46 ± 11.73 μg/mL, respectively. The EC50 of SFr and SF was 35.15 ± 6.09 μg/mL and 132.46 ± 11.73 μg/mL, respectively. SFr and SF also showed a good total antioxidant capacity of 939.66 ± 5.01 μg AAE/and 890.1 ± 7.76 μg AAE/g, respectively. SFr had important antibacterial activity vs. all tested strains—most notably B. subtilis DSM-6333 and E. coli, with MICs values of 2.5 ± 0.00 mg/mL and 2.50 ± 0.00 mg/mL, respectively. SFr demonstrated potent antifungal activity against C. albicans, with an inhibition diameter of 9.00 ± 0.50 mm and an MIC of 0.31 ± 0.00 mg/mL. The in silico approach showed that all compounds detected in SFr and SF had high activity (between −5.368 and 8.416 kcal/mol) against the receptors studied, including NADPH oxidase, human acetylcholinesterase, and beta-ketoacyl-[acyl carrier protein] synthase.
A Review of Coformer Utilization in Multicomponent Crystal Formation
Authors: Wathoni Nasrul , Sari Wuri Ariestika , Elamin Khaled M. , Mohammed Ahmed Fouad Abdelwahab , Suharyani Ine
Published: December 2022

Most recently discovered active pharmaceutical molecules and market-approved medicines are poorly soluble in water, resulting in limited drug bioavailability and therapeutic effectiveness. The application of coformers in a multicomponent crystal method is one possible strategy to modulate a drug’s solubility. A multicomponent crystal is a solid phase formed when several molecules of different substances crystallize in a crystal lattice with a certain stoichiometric ratio. The goal of this review paper is to comprehensively describe the application of coformers in the formation of multicomponent crystals as solutions for pharmaceutically active ingredients with limited solubility. Owing to their benefits including improved physicochemical profile of pharmaceutically active ingredients, multicomponent crystal methods are predicted to become increasingly prevalent in the development of active drug ingredients in the future
6-(Tetrazol-5-yl)-7-aminoazolo[1,5-a]pyrimidines as Novel Potent CK2 Inhibitors
Authors: Urakov Grigoriy V. , Savateev Konstantin V. , Kotovskaya Svetlana K. , Rusinov Vladimir L. , Spasov Alexandr A. , Babkov Denis A. , Sokolova Elena V.
Published: December 2022

In this work, we describe the design, synthesis, and structure-activity relationship of 6-(tetrazol-5-yl)-7-aminoazolo[1,5-a]pyrimidines as inhibitors of Casein kinase 2 (CK2). At first, we optimized the reaction conditions for the azide-nitrile cycloaddition in the series of 6-cyano-7-aminoazolopyridimines and sodium azide. The regioselectivity of this process has been shown, as the cyano group of the pyrimidine cycle was converted to tetrazole while the nitrile of the azole fragment did not react. The desired tetrazolyl-azolopyrimidines were obtained in a moderate to excellent yields (42–95%) and converted further to water soluble sodium salts by the action of sodium bicarbonate. The obtained 6-(tetrazol-5-yl)-7-aminopyrazolo[1,5-a]pyrimidines 2a–k and their sodium salts 3a–c, 3g–k showed nano to low micromolar range of CK2 inhibition while corresponding [1,2,4]triazolopyrimidines 10a–k were less active (IC50 > 10 µM). The leader compound 3-phenyl-6-(tetrazol-5-yl)-7-aminopyrazolo[1,5-a]pyrimidine 2i as CK2 inhibitor showed IC50 45 nM.
Design, Synthesis and Fungicidal Activity of N-(thiophen-2-yl) Nicotinamide Derivatives
Authors: Wu Hongfei , Lu Xingxing , Xu Jingbo , Zhang Xiaoming , Li Zhinian , Yang Xinling , Ling Yun
Published: December 2022

Based on the modification of natural products and the active substructure splicing method, a series of new N-(thiophen-2-yl) nicotinamide derivatives were designed and synthesized by splicing the nitrogen-containing heterocycle natural molecule nicotinic acid and the sulfur-containing heterocycle thiophene. The structures of the target compounds were identified through 1H NMR, 13C NMR and HRMS spectra. The in vivo bioassay results of all the compounds against cucumber downy mildew (CDM, Pseudoperonospora cubensis (Berk.et Curt.) Rostov.) in a greenhouse indicated that compounds 4a (EC50 = 4.69 mg/L) and 4f (EC50 = 1.96 mg/L) exhibited excellent fungicidal activities which were higher than both diflumetorim (EC50 = 21.44 mg/L) and flumorph (EC50 = 7.55 mg/L). The bioassay results of the field trial against CDM demonstrated that the 10% EC formulation of compound 4f displayed excellent efficacies (70% and 79% control efficacies, respectively, each at 100 mg/L and 200 mg/L) which were superior to those of the two commercial fungicides flumorph (56% control efficacy at 200 mg/L) and mancozeb (76% control efficacy at 1000 mg/L). N-(thiophen-2-yl) nicotinamide derivatives are significant lead compounds that can be used for further structural optimization, and compound 4f is also a promising fungicide candidate against CDM that can be used for further development.
Anti-Mycobacterial N-(2-Arylethyl)quinolin-3-amines Inspired by Marine Sponge-Derived Alkaloid
Authors: Mukomura Junya , Nonaka Hiroki , Sato Hiromasa , Kishimoto Maho , Arai Masayoshi , Kotoku Naoyuki
Published: December 2022

The synthesis and evaluation of simplified analogs of marine sponge-derived alkaloid 3-(phenethylamino)demethyl(oxy)aaptamine were performed to develop novel anti-mycobacterial substances. Ring truncation of the tricyclic benzo[de][1,6]-naphthyridine skeleton effectively weakened the cytotoxicity of the natural product, and the resulting AC-ring analog exhibited good anti-mycobacterial activity. A structure–activity relationship (SAR) study, synthesizing and evaluating some analogs, demonstrated the specificity and importance of the N-(2-arylethyl)quinolin-3-amine skeleton as a promising scaffold for anti-mycobacterial lead compounds.
Facile Green Synthesis of Ni(OH)2@Mn3O4 Cactus-Type Nanocomposite: Characterization and Cytotoxicity Properties
Authors: Taha Amel , Hassanin Hanaa A.
Published: December 2022

In the present work, the facile eco-friendly synthesis and evaluation of the anti-tumor activity of Ni(OH)2@Mn3O4 nanocomposite were carried out. The synthesis of Ni(OH)2@Mn3O4 nanocomposite from chia-seed extract was mediated by sonication. The obtained materials were characterized by different spectroscopic techniques such as transmission electron microscopy (TEM), scanning electron microscope (SEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), ultraviolet-visible (UV-Vis), and Fourier transform infrared (FT-IR) spectroscopies. The results of XRD, SEM, EDS, TEM, FT-IR, and UV-Vis analysis indicate the successful manufacturing of a crystalline, cactus-type Ni(OH)2@Mn3O4 nanocomposite of 10.10 nm average particle size. XPS analysis confirms that the synthesized materials consist mainly of Ni2+, Mn2+, and Mn3+. The antitumor activity of the nanocomposite was tested against a breast cancer (MCF-7) cell line. The results showed Ni(OH)2@Mn3O4 nanocomposite possesses insignificant cytotoxicity. The cell-death percentage was 34% at a 100 ppm concentration of Ni(OH)2@Mn3O4 nanocomposite. The obtained results imply that the synthesized nanocomposite could be suitable and safe for drug delivery and water treatment.
In Vitro and In Silico Pharmacological and Cosmeceutical Potential of Ten Essential Oils from Aromatic Medicinal Plants from the Mascarene Islands
Authors: Jugreet Bibi Sharmeen , Lall Namrita , Anina Lambrechts Isa , Reid Anna-Mari , Maphutha Jacqueline , Nel Marizé , Hassan Abdallah H. , Khalid Asaad , Abdalla Ashraf N. , Van Bao Le , Mahomoodally Mohamad Fawzi
Published: December 2022

In this study, 10 essential oils (EOs), from nine plants (Cinnamomum camphora, Curcuma longa, Citrus aurantium, Morinda citrifolia, Petroselinum crispum, Plectranthus amboinicus, Pittosporum senacia, Syzygium coriaceum, and Syzygium samarangense) were assessed for their antimicrobial, antiaging and antiproliferative properties. While only S. coriaceum, P. amboinicus (MIC: 0.50 mg/mL) and M. citrifolia (MIC: 2 mg/mL) EOs showed activity against Cutibacterium acnes, all EOs except S. samarangense EO demonstrated activity against Mycobacterium smegmatis (MIC: 0.125–0.50 mg/mL). The EOs were either fungistatic or fungicidal against one or both tested Candida species with minimum inhibitory/fungicidal concentrations of 0.016–32 mg/mL. The EOs also inhibited one or both key enzymes involved in skin aging, elastase and collagenase (IC50: 89.22–459.2 µg/mL; 0.17–0.18 mg/mL, respectively). Turmerone, previously identified in the C. longa EO, showed the highest binding affinity with the enzymes (binding energy: −5.11 and −6.64 kcal/mol). Only C. aurantium leaf, C. longa, P. amboinicus, P. senacia, S. coriaceum, and S. samarangense EOs were cytotoxic to the human malignant melanoma cells, UCT-MEL1 (IC50: 88.91–277.25 µg/mL). All the EOs, except M. citrifolia EO, were also cytotoxic to the human keratinocytes non-tumorigenic cells, HaCat (IC50: 33.73–250.90 µg/mL). Altogether, some interesting therapeutic properties of the EOs of pharmacological/cosmeceutical interests were observed, which warrants further investigations.
A Dual-Mode Method Based on Aptamer Recognition and Time-Resolved Fluorescence Resonance Energy Transfer for Histamine Detection in Fish
Authors: Wang Xin , Yang Fu , Deng Chengfang , Zhang Yujie , Yang Xiao , Chen Xianggui , Huang Yukun , Ye Hua , Zhong Jianjun , Wang Zhouping
Published: December 2022

Histamine produced via the secretion of histidine decarboxylase by the bacteria in fish muscles is a toxic biogenic amine and of significant concern in food hygiene, since a high intake can cause poisoning in humans. This study proposed a fluorometric and colorimetric dual-mode specific method for the detection of histamine in fish, based on the fluorescence labeling of a histamine specific aptamer via the quenching and optical properties of gold nanoparticles (AuNPs). Due to the fluorescence resonance energy transfer phenomenon caused by the proximity of AuNPs and NaYF4:Ce/Tb, resulting in the quenching of the fluorescence signal in the detection system, the presence of histamine will compete with AuNPs to capture the aptamer and release it from the AuNP surface, inducing fluorescence recovery. Meanwhile, the combined detection of the two modes showed good linearity with histamine concentration, the linear detection range of the dual-mode synthesis was 0.2–1.0 μmol/L, with a detection limit of 4.57 nmol/L. Thus, this method has good selectivity and was successfully applied to the detection of histamine in fish foodstuffs with the recoveries of 83.39~102.027% and 82.19~105.94% for Trichiurus haumela and Thamnaconus septentrionalis, respectively. In addition, this method was shown to be simple, rapid, and easy to conduct. Through the mutual verification and combined use of the two modes, a highly sensitive, rapid, and accurate dual-mode detection method for the analysis of histamine content in food was established, thereby providing a reference for the monitoring of food freshness.
Three-Electron Dynamics of the Interparticle Coulombic Decay in Doubly Excited Clusters with One-Dimensional Continuum Confinement
Authors: Schäfer Joana-Lysiane , Langkabel Fabian , Bande Annika
Published: December 2022

A detailed analysis of the electronic structure and decay dynamics in a symmetric system with three electrons in three linearly aligned binding sites representing quantum dots (QDs) is given. The two outer A QDs are two-level potentials and can act as (virtual) photon emitters, whereas the central B QD can be ionized from its one level into a continuum confined on the QD axis upon absorbing virtual photons in the inter-Coulombic decay (ICD) process. Two scenarios in such an ABA array are explored. One ICD process is from a singly excited resonance state, whose decay releasing one virtual photon we find superimposed with resonance energy transfer among both A QDs. Moreover, the decay-process manifold for a doubly excited (DE) resonance is explored, in which collective ICD among all three sites and excited ICD among the outer QDs engage. Rates for all processes are found to be extremely low, although ICD rates with two neighbors are predicted to double compared to ICD among two sites only. The slowing is caused by Coulomb barriers imposed from ground or excited state electrons in the A sites. Outliers occur on the one hand at short distances, where the charge transfer among QDs mixes the possible decay pathways. On the other hand, we discovered a shape resonance-enhanced DE-ICD pathway, in which an excited and localized B* shape resonance state forms, which is able to decay quickly into the final ICD continuum.
A Review: Meridianins and Meridianins Derivatives
Authors: Xiao Linxia
Published: December 2022

Meridianins are a family of indole alkaloids derived from Antarctic tunicates with extensive pharmacological activities. A series of meridianin derivatives had been synthesized by drug researchers. This article reviews the extraction and purification methods, biological activities and pharmacological applications, pharmacokinetic characters and chemical synthesis of meridianins and their derivatives. And prospects on discovering new bioactivities of meridianins and optimizing their structure for the improvement of the ADMET properties are provided.
Acylhydrazones and Their Biological Activity: A Review
Authors: Socea Laura-Ileana , Barbuceanu Stefania-Felicia , Pahontu Elena Mihaela , Dumitru Alexandru-Claudiu , Nitulescu George Mihai , Sfetea Roxana Corina , Apostol Theodora-Venera
Published: December 2022

Due to the structure of acylhydrazones both by the pharmacophore –CO–NH–N= group and by the different substituents present in the molecules of compounds of this class, various pharmacological activities were reported, including antitumor, antimicrobial, antiviral, antiparasitic, anti-inflammatory, immunomodulatory, antiedematous, antiglaucomatous, antidiabetic, antioxidant, and actions on the central nervous system and on the cardiovascular system. This fragment is found in the structure of several drugs used in the therapy of some diseases that are at the top of public health problems, like microbial infections and cardiovascular diseases. Moreover, the acylhydrazone moiety is present in the structure of some compounds with possible applications in the treatment of other different pathologies, such as schizophrenia, Parkinson’s disease, Alzheimer’s disease, and Huntington’s disease. Considering these aspects, we consider that a study of the literature data regarding the structural and biological properties of these compounds is useful.
Improved Conductivity in Gellan Gum and Montmorillonite Nanocomposites Electrolytes
Authors: Caliman Willian Robert , Sentanin Franciani Cassia , Sabadini Rodrigo Cesar , Donoso Jose Pedro , Magon Claudio Jose , Pawlicka Agnieszka
Published: December 2022

Nanocomposite polymer electrolytes (NPEs) were obtained using gellan gum (GG) and 1 to 40 wt.% of montmorillonite (Na+SYN-1) clay. The NPEs were crosslinked with formaldehyde, plasticized with glycerol, and contained LiClO4. The samples were characterized by impedance spectroscopy, thermal analyses (TGA and DSC), UV-vis transmittance and reflectance, X-ray diffraction (XRD), and continuous-wave electron paramagnetic resonance (CW-EPR). The NPEs of GG and 40 wt.% LiClO4 showed the highest conductivity of 2.14 × 10−6 and 3.10 × 10−4 S/cm at 30 and 80 °C, respectively. The samples with 10 wt.% Na+SYN-1 had a conductivity of 1.86 × 10−5 and 3.74 × 10−4 S/cm at 30 and 80 °C, respectively. TGA analyses revealed that the samples are thermally stable up to 190 °C and this did not change with clay addition. The transparency of the samples decreased with the increase in the clay content and at the same time their reflectance increased. Finally, CW-EPR was performed to identify the coordination environment of Cu2+ ions in the GG NPEs. The samples doped with the lowest copper concentration exhibit the typical EPR spectra due to isolated Cu2+ ions in axially distorted sites. At high concentrations, the spectra become isotropic because of dipolar and exchange magnetic effects. In summary, GG/clay NPEs presented good ionic conductivity results, which qualifies them for electrochemical device applications.
Current Perspectives on Pyrroloiminoquinones: Distribution, Biosynthesis and Drug Discovery Potential
Authors: Kalinski Jarmo-Charles J. , Polyzois Alexandros , Waterworth Samantha C. , Siwe Noundou Xavier , Dorrington Rosemary A.
Published: December 2022

Pyrroloiminoquinones are a group of cytotoxic alkaloids most commonly isolated from marine sponges. Structurally, they are based on a tricyclic pyrrolo[4,3,2-de]quinoline core and encompass marine natural products such as makaluvamines, tsitsikammamines and discorhabdins. These diverse compounds are known to exhibit a broad spectrum of biological activities including anticancer, antiplasmodial, antimicrobial, antifungal and antiviral activities as well as the inhibition of several key cellular enzymes. The resurgence of interest in pyrroloiminoquinones and the convoluted understanding regarding their biological activities have prompted this review. Herein, we provided a concise summary of key findings and recent developments pertaining to their structural diversity, distribution, biogenesis, and their potential as chemical probes for drug development, including a discussion of promising synthetic analogs.
Bimetallic TiO2 Nanoparticles for Lignin-Based Model Compounds Valorization by Integrating an Optocatalytic Flow-Microreactor
Authors: Pradhan Swaraj Rashmi , Paszkiewicz-Gawron Marta , Łomot Dariusz , Lisovytskiy Dmytro , Colmenares Juan Carlos
Published: December 2022

The challenge of improving the activity of TiO2 by modifying it with metals and using it for targeted applications in microreactor environments is an active area of research. Recently, microreactors have emerged as successful candidates for many photocatalytic reactions, especially for the selective oxidation process. The current work introduces ultrasound-assisted catalyst deposition on the inner walls of a perfluoro-alkoxy alkane (PFA) microtube under mild conditions. We report Cu-Au/TiO2 and Fe-Au/TiO2 nanoparticles synthesized using the sol–gel method. The obtained photocatalysts were thoroughly characterized by UV–Vis diffuse-reflectance spectroscopy (DRS), high-resolution scanning electron microscopy (HR-SEM), high-resolution transmission electron microscopy (HR-TEM), X-ray diffraction analysis (XRD), Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and N2 physisorption. The photocatalytic activity under UV (375 nm) and visible light (515 nm) was estimated by the oxidation of lignin-based model aromatic alcohols in batch and fluoropolymer-based flow systems. The bimetallic catalyst exhibited improved photocatalytic selective oxidation. Herein, four aromatic alcohols were individually investigated and compared. In our experiments, the alcohols containing hydroxy and methoxy groups (coniferyl and vanillin alcohol) showed high conversion (93% and 52%, respectively) with 8% and 17% selectivity towards their respective aldehydes, with the formation of other side products. The results offer an insight into ligand-to-metal charge transfer (LMCT) complex formation, which was found to be the main reason for the activity of synthesized catalysts under visible light.
Effects of a Lifestyle Intervention in Young Women with GDM and Subsequent Diabetes
Authors: Hu Gang , Liu Huikun , Leng Junhong , Wang Leishen , Li Weiqin , Zhang Shuang , Li Wei , Liu Gongshu , Tian Huiguang , Yang Shengping , Yu Zhijie , Yang Xilin , Tuomilehto Jaakko
Published: December 2022

The purpose of this study was to examine whether a 9-month intensive lifestyle intervention could lead to weight loss and improve cardiovascular risk factors among young women with both gestational diabetes mellitus (GDM) and newly diagnosed diabetes. A total of 83 young women, who had GDM and were subsequently diagnosed as type 2 diabetes at an average of 2.6 years after delivery, participated in a 9-month intensive lifestyle intervention and a follow-up survey at 6–9 years postintervention. After the 9-month intervention, these women had a weight loss of 2.90 kg (−4.02% of initial weight), decreased waist circumference (−3.12 cm), body fat (−1.75%), diastolic blood pressure (−3.49 mmHg), fasting glucose (−0.98 mmol/L) and HbA1c (−0.72%). During the 6–9 years postintervention period, they still had lower weight (−3.71 kg; −4.62% of initial weight), decreased waist circumference (−4.56 cm) and body fat (−2.10%), but showed a slight increase in HbA1c (0.22%). The prevalence of using glucose-lowering agents increased from 2.4% at baseline to 34.6% after the 9-month lifestyle intervention, and to 48.4% at 6–9 years postintervention. A 9-month intensive lifestyle intervention can produce beneficial effects on body weight, HbA1c and other cardiovascular risk factors among young women with previous GDM who subsequently developed new diabetes.
Laser Driven Electron Acceleration from Near-Critical Density Targets towards the Generation of High Energy γ-Photons
Authors: Vladisavlevici Iuliana-Mariana , Vizman Daniel , d’Humières Emmanuel
Published: December 2022

In this paper, we investigate the production of high energy gamma photons at the interaction between an ultra-high intensity laser pulse with an energetic electron beam and with a near-critical density plasma for the laser intensity varying between 1019–1023 W/cm2. In the case of the interaction with an electron beam, and for the highest laser intensities considered, the electrons lose almost all their energy to emit gamma photons. In the interaction with a near-critical density plasma, the electrons are first accelerated by the laser pulse up to GeV energies and further emit high energy radiation. A maximum laser-to-photons conversion coefficient of 30% is obtained. These results can be used for the preparation of experiments at the Apollon and ELI laser facilities for the investigation of the emission of high energy γ-photons and to study the electron-positron pair creation in the laboratory.
Drought Stress Tolerance in Plants: Interplay of Molecular, Biochemical and Physiological Responses in Important Development Stages
Authors: Oguz Muhammet Cagri , Aycan Murat , Oguz Ezgi , Poyraz Irem , Yildiz Mustafa
Published: December 2022

Drought is an important abiotic stress factor limiting crop productivity worldwide and its impact is increasing with climate change. Regardless of the plant growth period, drought has a deadly and yield-reducing effect on the plant at every stage of development. As with many environmental stressors, drought-exposed plants trigger a series of molecular, biochemical, and physiological responses to overcome the effect of drought stress. Currently, researchers are trying to determine the complex functioning of drought stress response in plants with different approaches. Plants are more sensitive to drought stress during certain critical stages like germination, seedling formation, flowering, fertilization, and grain formation periods. Plants have high success in reducing the effects of drought stress in vegetative development periods with the activity of tolerance mechanisms. On the other hand, drought stress during the generative period can cause irreversible losses in yield. This review focuses on the progression of molecular, biochemical, and physiological mechanisms involved in the drought stress tolerance in plants and the responses of field crops to drought stress at different development stages.
Numerical Study for the Performance of Viscoelastic Fluids on Displacing Oil Based on the Fractional-Order Maxwell Model
Authors: Huang Jingting , Chen Liqiong , Li Shuxuan , Guo Jinghang , Li Yuanyuan
Published: December 2022

In the study of polymer flooding, researchers usually ignore the genetic stress properties of viscoelastic fluids. In this paper, we investigate the process of viscoelastic fluid flooding the remaining oil in the dead end. This work uses the fractional-order Maxwell in the traditional momentum equation. Furthermore, a semi-analytic solution of the flow control equation for fractional-order viscoelastic fluids is derived, and the oil-repelling process of viscoelastic fluids is simulated by a secondary development of OpenFOAM. The results show that velocity fractional-order derivative α significantly affects polymer solution characteristics, and increasing the elasticity of the fluid can significantly improve the oil repelling efficiency. Compared to the Newtonian fluid flow model, the fractional order derivative a and relaxation time b in the two-parameter instanton equation can accurately characterize the degree of elasticity of the fluid. The smaller the a, the more elastic the fluid is and the higher the oil-repelling efficiency. The larger the b, the less elastic the fluid is and the lower the cancellation efficiency. Moreover, the disturbance of the polymer solution to the dead end is divided into two elastic perturbation areas. The stronger the elasticity of the polymer solution, the higher the peak value of the area in the dead end and the higher the final oil displacement efficiency.
Velocity String Drainage Technology for Horizontal Gas Wells in Changbei
Authors: Cai Wenbin , Huang Zhimin , Mo Xiangyang , Zhang Huiren
Published: December 2022

The Changbei gas field is dominated by wells with large horizontal displacement, which have exhibited high gas production performance at an early stage of development. With the decrease in reservoir pressure, the liquid loading in the gas well is relatively high and gas production rapidly decreases. Therefore, suitable drainage measures are required to maintain stable gas production. Based on the characteristics of the unconnected oil jacket of gas wells in Changbei, a velocity string was used for drainage. A critical liquid-carrying model was established to determine the location of liquid loading in horizontal gas wells in Changbei. First, the coefficients of the liquid-carrying model were determined through theoretical analysis of the characteristics of the gas well formation. Then, the depth setting of the velocity string was analyzed. The critical liquid-carrying model was employed to calculate the liquid-carrying flow rate of each section; the calculated flow rates were compared with the actual flow rates to determine whether fluid accumulation occurred in each section of the gas well. Thereafter, with the help of the oil and casing position, the suitable setting position of the velocity string was determined. The formation fluid was driven from the tubing into the casing owing to the increase in the overflow area, based on the principle of reducer fluid mechanics. The fluid velocity in the larger overflow cross-section decreased, thereby reducing the drainage capacity of the gas well and resulting in liquid loading. Finally, a timing analysis was performed. After the formation pressure decreased, the well production and flow rate changes were analyzed by placing two velocity strings of different sizes at different wellhead pressures in the gas well with fluid accumulation. The results indicated that although the velocity string was set at a position suitable for fluid drainage, fluid accumulation still occurred after a production period, thus necessitating replacement deliquification.
Environmental Economical Dispatching of Electric–Gas Integrated Energy System Considering Hydrogen Compressed-Natural Gas
Authors: Song Xinhui , Qu Zhengwei , Kou Jianan , Wang Yunjing , Georgievitch Popov Maxim
Published: December 2022

As a high-quality secondary energy, hydrogen energy has great potential in energy storage and utilization. The development of power-to-hydrogen (P2H) technology has alleviated the problem of wind curtailment and improved the coupling between the power grid and the natural gas grid. Under the premise of ensuring safety, using P2H technology to mix the produced hydrogen into the natural gas network for long-distance transmission and power generation can not only promote the development of hydrogen energy but also reduce carbon emissions. This paper presents a new model for incorporating hydrogen into natural gas pipelines. To minimize the sum of wind curtailment cost, operation cost and carbon emission cost, an electric–gas integrated energy system (EGIES) model of hydrogen-compressed natural gas (HCNG) containing P2H for power generation is constructed. Aiming at the problem of global warming caused by a lot of abandoned wind and carbon emissions, the economy and environmental protection of the system model are analyzed. The results show that the model of EGIES considering HCNG can not only absorb excess wind power but also reduce carbon emission costs and system costs, which can reduce the total cost of the environmental economic dispatch of the EGIES by about 34.1%. In the context of the EGIES, the proposal of this model is of great significance to the economical and environmentally friendly operation of the system.
Analysis of Ultrasound Signal on Reflection from a Sharp Corner Surface: Study of Selected Characteristics Deriving from Regression by Transfer Function
Authors: Madola Vladimír , Cviklovič Vladimír , Paulovič Stanislav
Published: December 2022

This article deals with the regression analysis of the ultrasonic signal amplitude when the character of the reflection surface has been changed from a planar case to a sharp corner case. The experiment was performed at a measurement distance within the interval from 100 mm to 215 mm. A nonlinear correlation between the amplitude of the ultrasound signal and the measured distance was demonstrated. By analyzing the frequency spectra, a poor nonlinear correlation between the maximum frequency component and the distance vector was found for the sharp corner case versus the planar case, which proved similar nonlinear characteristics as the signal amplitude marker. The strong linear correlation in the distance difference vectors in the amplitude analysis of the ultrasound signal confirmed the hypothesis of a direct relationship between the reflection surface geometric characteristic and the polarity of the difference. The ultrasound signal was identified as a 3rd-order dynamic system. The nonlinear correlation of the steady-state values of the modelled transfer functions versus distance likewise shows the characteristic of the polarity difference or character derivative as a quantification marker of the characteristics of the reflection surface from the geometric point of view.
Experimental Study on the Performance-Influencing Factors of an Aviation Heavy-Oil Two-Stroke Direct-Injection Ignition Engine
Authors: Lu Bo , Bei Taixue , Liu Rui , Liu Na , Luo Ying , Liu Yuchen
Published: December 2022

To study the influence of control parameters under cold-start and low-load conditions on the performance of a heavy-oil, two-stroke, direct-injection, ignition engine for use in aviation, the operation of a two-stroke, direct-injection engine was studied in a bench test. The results were as follows: ① When the ambient temperature is 15 °C, the battery voltage is 12.4 V, and the peak speed of the starting motor is 1200 r/min. As the concentration factor increases, the cold-start speed increases, and the fuel consumption increases. The influence on the cold start is reduced after reaching a certain concentration. The cold-start time decreases with the increasing magnetization pulse width. The cold-start time is the shortest at an oil–gas interval of 6 ms. ② Under small-load conditions of 3000 r/min and 14% to 16% throttle, a higher ignition energy increases the engine power. Pollutant emissions are the lowest when the fuel injection is 7.5 mg and the excess air coefficient is approximately 1.1.
A Systematic Review on Biosurfactants Contribution to the Transition to a Circular Economy
Authors: Lakatos Elena Simina , Cioca Lucian Ionel , Szilagyi Andrea , Vladu Mariana Gratiela , Stoica Roxana Mădălina , Moscovici Misu
Published: December 2022

Since they are more environmentally acceptable than their chemically synthesized counterparts, biosurfactants are used in a wide range of environmental applications. However, less research has been done on biosurfactants within the context of the circular economy, despite their theoretical potential to fulfill a number of circular economy ambitions, including closing the consumption loop, regenerating natural systems, and maintaining resource value within the system. Hence, the main objective of this review is to identify and analyze the contributions of biosurfactants to the implementation of the circular economy. A final sample of 30 papers from the Web of Science database was examined. We identified five broad categories of contributions: waste stream-derived production, combating food waste, strengthening soil health, and improving the efficiency of water resources. We concluded that, while manufacturing biosurfactants from waste streams can reduce production costs, optimizing yield remains a contentious issue that complicates the adoption of biosurfactants into the circular economy framework.