bluuebunny/crossref_metadata_2025 huggingface dataset:
(2-Hydroxy-3-Methoxybenzylidene)thiazolo[3,2-a]pyrimidines: Synthesis, Self-Assembly in the Crystalline Phase and Cytotoxic Activity
Authors: Agarkov Artem S. , Nefedova Anna A. , Gabitova Elina R. , Mingazhetdinova Dilyara O. , Ovsyannikov Alexander S. , Islamov Daut R. , Amerhanova Syumbelya K. , Lyubina Anna P. , Voloshina Alexandra D. , Litvinov Igor A. , Solovieva Svetlana E. , Antipin Igor S.
Published: January 2023

A series of new 2-hydroxy-3-methoxybenzylidenethiazolo[3,2-a]pyrimidines with different aryl substituents at the 5 position are synthesized and characterized by 1H/ 13C NMR and IR-spectroscopy and mass-spectrometry, as well as single crystal X-ray diffraction (SCXRD). It was demonstrated that the type of hydrogen bonding can play a key role in the chiral discrimination of these compounds in the crystalline phase. The hydrogen bond of the O–H...N type leads to 1D supramolecular heterochiral chains or conglomerate crystallization in the case of the formation of homochiral chains. The hydrogen bond of O–H...O type gave racemic dimers, which are packed into 2D supramolecular layers with a parallel or angular dimers arrangement. Halogen bonding of the N...Br or O...Br type brings a new motif into supramolecular self-assembly in the crystalline phase: the formation of 1D supramolecular homochiral chains instead 2D supramolecular layers. The study of cytotoxicity against various tumor cells in vitro was carried out. It was found that 2-hydroxy−3-methoxybenzylidenethiazolo[3,2-a]pyrimidines with 3-nitrophenyl substituent at C5 carbon atom demonstrated a high efficiency against M-HeLa (cervical adenocarcinoma) and low cytotoxicity against normal liver cells.
Integrated Transcriptomic and Metabolomics Analysis of the Root Responses of Orchardgrass to Submergence Stress
Authors: Shang Panpan , Shen Bingna , Zeng Bing , Bi Lei , Qu Minghao , Zheng Yuqian , Ye Yujing , Li Wenwen , Zhou Xiaoli , Yang Xingyun , Jiang Yiwei , Zeng Bing
Published: January 2023

Submergence stress can severely affect plant growth. Orchardgrass (Dactylis glomerata L.) is an important forage grass, and the molecular mechanisms of orchardgrass to submergence stress are not well understood. The roots of the flood-tolerant cultivar “Dian Bei” were harvested at 0 h, 8 h and 24 h of submergence stress. The combined transcriptomic and metabolomic analyses showed that β-alanine metabolism, flavonoid biosynthesis, and biosynthesis of amino acid pathways were significantly enriched at 8 h and 24 h of submergence stress and were more pronounced at 24 h. Most of the flavonoid biosynthesis-related genes were down-regulated for the synthesis of metabolites such as naringenin, apigenin, naringin, neohesperidin, naringenin chalcone, and liquiritigenin in response to submergence stress. Metabolites such as phenylalanine, tyrosine, and tryptophan were up-regulated under stress. The predominant response of flavonoid and amino acids biosynthesis to submergence stress suggests an important role of these pathways in the submergence tolerance of orchardgrass.
Alterations in Lymphocytic Metabolism—An Emerging Hallmark of MS Pathophysiology?
Authors: Greeck Viktoria B. , Williams Sarah K. , Haas Jürgen , Wildemann Brigitte , Fairless Richard
Published: January 2023

Multiple sclerosis (MS) is a chronic autoimmune disease of the central nervous system (CNS) characterised by acute inflammation and subsequent neuro-axonal degeneration resulting in progressive neurological impairment. Aberrant immune system activation in the periphery and subsequent lymphocyte migration to the CNS contribute to the pathophysiology. Recent research has identified metabolic dysfunction as an additional feature of MS. It is already well known that energy deficiency in neurons caused by impaired mitochondrial oxidative phosphorylation results in ionic imbalances that trigger degenerative pathways contributing to white and grey matter atrophy. However, metabolic dysfunction in MS appears to be more widespread than the CNS. This review focuses on recent research assessing the metabolism and mitochondrial function in peripheral immune cells of MS patients and lymphocytes isolated from murine models of MS. Emerging evidence suggests that pharmacological modulation of lymphocytic metabolism may regulate their subtype differentiation and rebalance pro- and anti-inflammatory functions. As such, further understanding of MS immunometabolism may aid the identification of novel treatments to specifically target proinflammatory immune responses.
Chondroitin Sulphate/Dermatan Sulphate Proteoglycans: Potential Regulators of Corneal Stem/Progenitor Cell Phenotype In Vitro
Authors: Bains Kiranjit K. , Ashworth Sean , Koudouna Elena , Young Robert D. , Hughes Clare E. , Quantock Andrew J.
Published: January 2023

Chondroitin sulphate (CS) proteoglycans with variable sulphation-motifs along their glycosaminoglycan (GAG) chains are closely associated with the stem cell niche of articular cartilage, where they are believed to influence the characteristics of the resident stem cells. Here, we investigated the immunohistochemical distribution of hybrid CS/dermatan sulphate (DS) GAGs in the periphery of the adult chicken cornea, which is the location of the cornea’s stem cell niche in a number of species, using a monoclonal antibody, 6C3, that recognises a sulphation motif-specific CS/DS GAG epitope. This revealed positive labelling that was restricted to the subepithelial corneal stroma, as well as nearby bony structures within the sclera, called ossicles. When cultivated on cell culture dishes coated with 6C3-rich CS/DS, corneal stromal cells (keratocytes) that had been isolated from embryonic chicken corneas formed circular colonies, which took several days to reach confluency. A flow cytometric analysis of these keratocytes revealed changes in their expression levels of the indicative stem cell markers, Connexin 43 (Cx43), Paired Box 6 (PAX6), B-lymphoma Moloney murine leukemia virus insertion region-1 (Bmi-1), and C-X-C Chemokine Receptor 4 (CXCR4) suggestive of a less-differentiated phenotype compared with expression levels in cells not exposed to CS/DS. These findings support the view that CS/DS promotes the retention of a stem cell phenotype in corneal cells, much as it has been proposed to do in other connective tissues.
Advances in Glaucoma Surgery
Authors: Mercieca Karl , Figus Michele
Published: January 2023

Glaucoma is one of the leading causes of irreversible sight loss worldwide, with a prevalence of 64 [...]
Acknowledgment to the Reviewers of Metals in 2022
Authors:   Metals Editorial Office
Published: January 2023

High-quality academic publishing is built on rigorous peer review [...]
Acknowledgment to the Reviewers of Micro in 2022
Authors:   Micro Editorial Office
Published: January 2023

High-quality academic publishing is built on rigorous peer review [...]
Acknowledgment to the Reviewers of Minerals in 2022
Authors:   Minerals Editorial Office
Published: January 2023

High-quality academic publishing is built on rigorous peer review [...]
Stimulus-Responsive Ultrathin Films for Bioapplications: A Concise Review
Authors: Benelmekki Maria , Kim Jeong-Hwan
Published: January 2023

The term “nanosheets” has been coined recently to describe supported and free-standing “ultrathin film” materials, with thicknesses ranging from a single atomic layer to a few tens of nanometers. Owing to their physicochemical properties and their large surface area with abundant accessible active sites, nanosheets (NSHs) of inorganic materials such as Au, amorphous carbon, graphene, and boron nitride (BN) are considered ideal building blocks or scaffolds for a wide range of applications encompassing electronic and optical devices, membranes, drug delivery systems, and multimodal contrast agents, among others. A wide variety of synthetic methods are employed for the manufacturing of these NSHs, and they can be categorized into (1) top-down approaches involving exfoliation of layered materials, or (2) bottom-up approaches where crystal growth of nanocomposites takes place in a liquid or gas phase. Of note, polymer template liquid exfoliation (PTLE) methods are the most suitable as they lead to the fabrication of high-performance and stable hybrid NSHs and NSH composites with the appropriate quality, solubility, and properties. Moreover, PTLE methods allow for the production of stimulus-responsive NSHs, whose response is commonly driven by a favorable growth in the appropriate polymer chains onto one side of the NSHs, resulting in the ability of the NSHs to roll up to form nanoscrolls (NSCs), i.e., open tubular structures with tunable interlayer gaps between their walls. On the other hand, this review gives insight into the potential of the stimulus-responsive nanostructures for biosensing and controlled drug release systems, illustrating the last advances in the PTLE methods of synthesis of these nanostructures and their applications.
Galantamine Based Novel Acetylcholinesterase Enzyme Inhibitors: A Molecular Modeling Design Approach
Authors: Silva Luciane , Ferreira Elenilze , Maryam  , Espejo-Román José , Costa Glauber , Cruz Josiane , Kimani Njogu , Costa Josivan , Bittencourt José , Cruz Jorddy , Campos Joaquín , Santos Cleydson
Published: January 2023

Acetylcholinesterase (AChE) enzymes play an essential role in the development of Alzheimer’s disease (AD). Its excessive activity causes several neuronal problems, particularly psychopathies and neuronal cell death. A bioactive pose on the hAChE B site of the human acetylcholinesterase (hAChE) enzyme employed in this investigation, which was obtained from the Protein Data Bank (PDB ID 4EY6), allowed for the prediction of the binding affinity and free binding energy between the protein and the ligand. Virtual screening was performed to obtain structures similar to Galantamine (GNT) with potential hAChE activity. The top 200 hit compounds were prioritized through the use of filters in ZincPharmer, with special features related to the pharmacophore. Critical analyses were carried out, such as hierarchical clustering analysis (HCA), ADME/Tox predictions, molecular docking, molecular simulation studies, synthetic accessibility (SA), lipophilicity, water solubility, and hot spots to confirm the stable binding of the two promising molecules (ZINC16951574-LMQC2, and ZINC08342556-LMQC5). The metabolism prediction, with metabolites M3-2, which is formed by Glutathionation reaction (Phase II), M1-2, and M2-2 formed from the reaction of S-oxidation and Aliphatic hydroxylation (Phase I), were both reactive but with no side effects. Theoretical synthetic routes and prediction of synthetic accessibility for the most promising compounds are also proposed. In conclusion, this study shows that in silico modeling can be used to create new drug candidate inhibitors for hAChE. The compounds ZINC16951574-LMQC2, and ZINC08342556-LMQC5 are particularly promising for oral administration because they have a favorable drug-likeness profile, excellent lipid solubility, high bioavailability, and adequate pharmacokinetics.
Cupressus arizonica Greene: Phytochemical Profile and Cosmeceutical and Dermatological Properties of Its Leaf Extracts
Authors: Tawfeek Nora , Fikry Eman , Mahdi Ismail , Ochieng Melvin Adhiambo , Bakrim Widad Ben , Taarji Noamane , Mahmoud Mona F. , Sobeh Mansour
Published: January 2023

For many decades, natural resources have traditionally been employed in skin care. Here, we explored the phytochemical profile of the aqueous and ethanolic leaf extracts of Cupressus arizonica Greene and assessed their antioxidant, antiaging and antibacterial activities in vitro. Liquid chromatography–mass spectrometry (LC-MS/MS) analysis led to the tentative identification of 67 compounds consisting mainly of phenolic and fatty acids, diterpene acids, proanthocyanidins and flavonoid and biflavonoid glycosides. The aqueous extract demonstrated substantial in vitro antioxidant potential at FRAP and DPPH assays and inhibited the four target enzymes (collagenase, elastase, tyrosinase, and hyaluronidase) engaged in skin remodeling and aging with IC50 values close to those of the standard drugs. Moreover, the aqueous extract at 25 mg/mL suppressed biofilm formation by Pseudomonas aeruginosa, a bacterial pathogen causing common skin manifestations, and decreased its swarming and swimming motilities. In conclusion, C. arizonica leaves can be considered a promising candidate for potential application in skin aging.
Nonoxidative Coupling of Methane to Produce C2 Hydrocarbons on FLPs of an Albite Surface
Authors: Zhou Yannan , Chen Ye , Luo Xuegang , Wang Xin
Published: January 2023

The characteristics of active sites on the surface of albite were theoretically analyzed by density functional theory, and the activation of the C-H bond of methane using an albite catalyst and the reaction mechanism of preparing C2 hydrocarbons by nonoxidative coupling were studied. There are two frustrated Lewis pairs (FLPs) on the (001) and (010) surfaces of albite; they can dissociate H2 under mild conditions and show high activity for the activation of methane C-H bonds. CH4 molecules can undergo direct dissociative adsorption on the (010) surface, whereas a 50.07 kJ/mol activation barrier is needed on the (001) surface. The prepared albite catalyst has a double combination function of the (001) and (010) surfaces; these surfaces produce a spillover phenomenon in the process of CH4 activation reactions, where CH3 overflows from the (001) surface with CH3 adsorbed on the (010) surface to achieve nonoxidative high efficiently C-C coupling with an activation energy of 18.51 kJ/mol. At the same time, this spillover phenomenon inhibits deep dehydrogenation, which is conducive to the selectivity of the C2 hydrocarbons. The experimental results confirm that the selectivity of the C2 hydrocarbons is maintained above 99% in the temperature range of 873 K to 1173 K.
Antioxidant, Wound Healing Potential and In Silico Assessment of Naringin, Eicosane and Octacosane
Authors: Balachandran Abbirami , Choi Sy Bing , Beata Morak-Młodawska , Małgorzata Jeleń , Froemming Gabriele R. A. , Lavilla Charlie A. , Billacura Merell P. , Siyumbwa Stepfanie N. , Okechukwu Patrick N.
Published: January 2023

1. Diabetic chronic wounds, mainly foot ulcers, constitute one of the most common complications of poorly managed diabetes mellitus. The most typical reasons are insufficient glycemic management, latent neuropathy, peripheral vascular disease, and neglected foot care. In addition, it is a common cause of foot osteomyelitis and amputation of the lower extremities. Patients are admitted in larger numbers attributable to chronic wounds compared to any other diabetic disease. In the United States, diabetes is currently the most common cause of non-traumatic amputations. Approximately five percent of diabetics develop foot ulcers, and one percent require amputation. Therefore, it is necessary to identify sources of lead with wound-healing properties. Redox imbalance due to excessive oxidative stress is one of the causes for the development of diabetic wounds. Antioxidants have been shown to decrease the progression of diabetic neuropathy by scavenging ROS, regenerating endogenous and exogenous antioxidants, and reversing redox imbalance. Matrix metalloproteinases (MMPs) play vital roles in numerous phases of the wound healing process. Antioxidant and fibroblast cell migration activity of Marantodes pumilum (MP) crude extract has previously been reported. Through their antioxidant, epithelialization, collagen synthesis, and fibroblast migration activities, the authors hypothesise that naringin, eicosane and octacosane identified in the MP extract may have wound-healing properties. 2. The present study aims to identify the bioactive components present in the dichloromethane (DCM) extract of M. pumilum and evaluate their antioxidant and wound healing activity. Bioactive components were identified using LCMS, HPTLC and GCMS. Excision wound on STZ-induced diabetic rat model, human dermal fibroblast (HDF) cell line and colorimetric antioxidant assays were used to evaluate wound healing and antioxidant activities, respectively. Molecular docking and pkCMS software would be utilised to predict binding energy and affinity, as well as ADME parameters. 3. Naringin (NAR), eicosane (EIC), and octacosane (OCT) present in MP displayed antioxidant action and wound excision closure. Histological examination HDF cell line demonstrates epithelialization, collagen production, fibroblast migration, polymorphonuclear leukocyte migration (PNML), and fibroblast movement. The results of molecular docking indicate a substantial attraction and contact between MMPs. pkCMS prediction indicates inadequate blood-brain barrier permeability, low toxicity, and absence of hepatotoxicity. 4. Wound healing properties of (NEO) naringin, eicosane and octacosane may be the result of their antioxidant properties and possible interactions with MMP.
3-Heptylidene-4,6-Dimethoxy-3H-Isobenzofuran-1-One Is Genotoxic, Increases the Frequency of Cell Death, and Potentiates the Effects of Cyclophosphamide and Cisplatin
Authors: das Neves Silvia Cordeiro , de Araújo Flavio Henrique , Correa Willian Ayala , Martins Allana Cristina Faustino , Coelho Henrique Rodrigues Scherer , Vilela Marcelo Luiz Brandão , do Nascimento Valter Aragão , Kassuya Candida Aparecida Leite , de Lima Dênis Pires , Beatriz Adilson , Oliveira Rodrigo Juliano , Gomes Roberto da Silva
Published: January 2023

3-heptylidene-4,6-dimethoxy-3H-isobenzofuran-1-one (Phthalide 1) is the precursor of three resorcinol lipids that have been described as potential chemotherapeutic agents and capable of potentiating the effects of cyclophosphamide. In this study, we evaluated the genotoxic potential, cell-killing potential, and interactions with cyclophosphamide and cisplatin of phthalide 1. Twelve groups were created from 120 mice: Negative Control, cyclophosphamide (100 mg/kg), cisplatin (6 mg/kg), Phthalide 1 (5, 10 and 20 mg/kg), and associations of 1 with cyclophosphamide and 1 with cisplatin. The results demonstrate that 1 increases (p < 0.05) the frequency of chromosomal damage, liver and kidney cell death, and splenic phagocytosis. The association of 1 with cyclophosphamide and cisplatin demonstrated a chemopreventive effect and, therefore, a reduction (p < 0.05) in the frequency of chromosomal damage. However, cell death and splenic phagocytosis did not suffer significant variations. As a result of the above, 1 has potential chemotherapeutic application and may be a candidate for developing a new generation of chemotherapeutics. In addition, it has characteristics to be used as a chemotherapy adjuvant in association with cyclophosphamide and cisplatin since it increases the frequency of cell death induced by chemotherapy. We also reported that the chemopreventive effect of 1, in association with cyclophosphamide and cisplatin, can prevent adverse effects (induction of DNA damage in non-tumor cells) without interfering with the mode of action of chemotherapy drugs and, therefore, without reducing the induction of cell death.
Comparison of Ophiopogon japonicus and Liriope spicata var. prolifera from Different Origins Based on Multi-Component Quantification and Anticancer Activity
Authors: Chen Min-Hui , Leong Fong , Gao Si-Jia , Chen Xin , Lu Jin-Jian , Lin Li-Gen , Wang Yitao , Chen Xiao-Jia
Published: January 2023

The tuberous root of Ophiopogon japonicus (Thunb.) Ker-Gawl. is a well-known Chinese medicine also called Maidong (MD) in Chinese. It could be divided into “Chuanmaidong” (CMD) and “Zhemaidong” (ZMD), according to the geographic origins. Meanwhile, the root of Liriope spicata (Thunb.) Lour. var. prolifera Y. T. Ma (SMD) is occasionally used as a substitute for MD in the market. In this study, a reliable pressurized liquid extraction and HPLC-DAD-ELSD method was developed for the simultaneous determination of nine chemical components, including four steroidal saponins (ophiopojaponin C, ophiopogonin D, liriopesides B and ophiopogonin D’), four homoisoflavonoids (methylophiopogonone A, methylophiopogonone B, methylophiopogonanone A and methylophiopogonanone B) and one sapogenin (ruscogenin) in CMD, ZMD and SMD. The method was validated in terms of linearity, sensitivity, precision, repeatability and accuracy, and then applied to the real samples from different origins. The results indicated that there were significant differences in the contents of the investigated compounds in CMD, ZMD and SMD. Ruscogenin was not detected in all the samples, and liriopesides B was only found in SMD samples. CMD contained higher ophiopogonin D and ophiopogonin D’, while the other compounds were more abundant in ZMD. Moreover, the anticancer effects of the herbal extracts and selected components against A2780 human ovarian cancer cells were also compared. CMD and ZMD showed similar cytotoxic effects, which were stronger than those of SMD. The effects of MD may be due to the significant anticancer potential of ophiopognin D’ and homoisoflavonoids. These results suggested that there were great differences in the chemical composition and pharmacological activity among CMD, ZMD and SMD; thus, their origins should be carefully considered in clinical application.
Natural Bioactive Compounds Targeting NADPH Oxidase Pathway in Cardiovascular Diseases
Authors: Sofiullah Siti Sarah M. , Murugan Dharmani Devi , Muid Suhaila Abd , Seng Wu Yuan , Kadir Sharifah Zamiah Syed Abdul , Abas Razif , Ridzuan Nurul Raudzah Adib , Zamakshshari Nor Hisam , Woon Choy Ker
Published: January 2023

Cardiovascular disease (CVD) is the leading cause of death worldwide, in both developed and developing countries. According to the WHO report, the morbidity and mortality caused by CVD will continue to rise with the estimation of death going up to 22.2 million in 2030. NADPH oxidase (NOX)-derived reactive oxygen species (ROS) production induces endothelial nitric oxide synthase (eNOS) uncoupling and mitochondrial dysfunction, resulting in sustained oxidative stress and the development of cardiovascular diseases. Seven distinct members of the family have been identified of which four (namely, NOX1, 2, 4 and 5) may have cardiovascular functions. Currently, the treatment and management plan for patients with CVDs mainly depends on the drugs. However, prolonged use of prescribed drugs may cause adverse drug reactions. Therefore, it is crucial to find alternative treatment options with lesser adverse effects. Natural products have been gaining interest as complementary therapy for CVDs over the past decade due to their wide range of medicinal properties, including antioxidants. These might be due to their potent active ingredients, such as flavonoid and phenolic compounds. Numerous natural compounds have been demonstrated to have advantageous effects on cardiovascular disease via NADPH cascade. This review highlights the potential of natural products targeting NOX-derived ROS generation in treating CVDs. Emphasis is put on the activation of the oxidases, including upstream or downstream signalling events.
Development of Innovative Vitamin D Enrichment Designs for Two Typical Italian Fresh Cheeses: Burrata and Giuncata
Authors: Santanatoglia Agnese , Nzekoue Franks Kamgang , Alesi Alessandro , Ricciutelli Massimo , Sagratini Gianni , Suo Xinying , Torregiani Elisabetta , Vittori Sauro , Caprioli Giovanni
Published: January 2023

The aim of this research was to develop innovative cheeses fortified with vitamin D3 (VD3). Formulation studies and analyses of textural properties and chemicals were carried out for these developments. Two traditional Italian varieties of cheese (giuncata and burrata) were studied. For giuncata, the fortification of milk for cheese production provided a VD3 retention level of 43.9 ± 0.6% in the food matrix. For burrata, the VD3 ingredient was incorporated into the creamy inner part after mixing, maintaining the textural quality of the product (adhesiveness 4.3 ± 0.4 J × 10−3; firmness 0.7 ± 0.0 N; and cohesiveness 0.8 ± 0.2). The optimized enrichment designs allowed to obtain homogenous contents of VD3 during the production of giuncata (0.48 ± 0.01 µg/g) and burrata cheeses (0.32 ± 0.02 µg/g). Moreover, analyses revealed the high stability of VD3 during the storage of the two fortified cheese types (2 weeks, 4 °C). These fortification designs could be implemented at an industrial scale to obtain new cheese types enriched in VD3 and thus contribute to the reduction in VD deficiency prevalence.
Washable Antimicrobial Wipes Fabricated from a Blend of Nanocomposite Raw Cotton Fiber
Authors: Nam Sunghyun , Hinchliffe Doug J. , Hillyer Matthew B. , Gary Lawson , He Zhongqi
Published: January 2023

In this study, a simple and effective way to produce washable antimicrobial wipes was developed based on the unique ability of raw cotton fiber to produce silver nanoparticles. A nanocomposite substructure of silver nanoparticles (25 ± 3 nm) was generated in raw cotton fiber without reducing and stabilizing agents. This nanocomposite raw cotton fiber (2100 ± 58 mg/kg in the concentration of silver) was blended in the fabrication of nonwoven wipes. Blending small amounts in the wipes—0.5% for antimicrobial properties and 1% for wipe efficacy—reduced the viability of S. aureus and P. aeruginosa by 99.9%. The wipes, fabricated from a blend of 2% nanocomposite raw cotton fiber, maintained their antibacterial activities after 30 simulated laundering cycles. The washed wipes exhibited bacterial reductions greater than 98% for both Gram-positive and Gram-negative bacteria.
Development of a New Methodology for Dearomative Borylation of Coumarins and Chromenes and Its Applications to Synthesize Boron-Containing Retinoids
Authors: Das Bhaskar C. , Yadav Pratik , Das Sasmita , Saito Mariko , Evans Todd
Published: January 2023

Dearomative borylation of coumarins and chromenes via conjugate addition represents a relatively unexplored and challenging task. To address this issue, herein, we report a new and general copper (I) catalyzed dearomative borylation process to synthesize boron-containing oxacycles. In this report, the borylation of coumarins, chromones, and chromenes comprising functional groups, such as esters, nitriles, carbonyls, and amides, has been achieved. In addition, the method generates different classes of potential boron-based retinoids, including the ones with oxadiazole and anthocyanin motifs. The borylated oxacycles can serve as suitable intermediates to generate a library of compounds.
Characterization of Galectin Fusion Proteins with Glycoprotein Affinity Columns and Binding Assays
Authors: Dey Carina , Palm Philip , Elling Lothar
Published: January 2023

Galectins are β-galactosyl-binding proteins that fulfill essential physiological functions. In the biotechnological field, galectins are versatile tools, such as in the development of biomaterial coatings or the early-stage diagnosis of cancer diseases. Recently, we introduced galectin-1 (Gal-1) and galectin-3 (Gal-3) as fusion proteins of a His6-tag, a SNAP-tag, and a fluorescent protein. We characterized their binding in ELISA-type assays and their application in cell-surface binding. In the present study, we have constructed further fusion proteins of galectins with fluorescent protein color code. The fusion proteins of Gal-1, Gal-3, and Gal-8 were purified by affinity chromatography. For this, we have prepared glycoprotein affinity resins based on asialofetuin (ASF) and fetuin and combined this in a two-step purification with Immobilized Metal Affinity chromatography (IMAC) to get pure and active galectins. Purified galectin fractions were analyzed by size-exclusion chromatography. The binding characteristics to ASF of solely His6-tagged galectins and galectin fusion proteins were compared. As an example, we demonstrate a 1.6–3-fold increase in binding efficiency for HSYGal-3 (His6-SNAP-yellow fluorescent protein-Gal-3) compared to the HGal-3 (His6-Gal-3). Our results reveal an apparent higher binding efficiency for galectin SNAP-tag fusion proteins compared to His6-tagged galectins, which are independent of the purification mode. This is also demonstrated by the binding of galectin fusion proteins to extracellular glycoconjugates laminin, fibronectin, and collagen IV. Our results indicate the probable involvement of the SNAP-tag in apparently higher binding signals, which we discuss in this study.
Structural Features of Small Molecule Antioxidants and Strategic Modifications to Improve Potential Bioactivity
Authors: Charlton Nathan C. , Mastyugin Maxim , Török Béla , Török Marianna
Published: January 2023

This review surveys the major structural features in various groups of small molecules that are considered to be antioxidants, including natural and synthetic compounds alike. Recent advances in the strategic modification of known small molecule antioxidants are also described. The highlight is placed on changing major physicochemical parameters, including log p, bond dissociation energy, ionization potential, and others which result in improved antioxidant activity.
Purification, Characterization and Bactericidal Action of Lysozyme, Isolated from Bacillus subtillis BSN314: A Disintegrating Effect of Lysozyme on Gram-Positive and Gram-Negative Bacteria
Authors: Naveed Muhammad , Wang Yadong , Yin Xian , Chan Malik Wajid Hussain , Aslam Sadar , Wang Fenghuan , Xu Baocai , Ullah Asad
Published: January 2023

In the present study, lysozyme was purified by the following multi-step methodology: salt (ammonium sulfate) precipitation, dialysis, and ultrafiltration. The lysozyme potential was measured by enzymatic activity after each purification step. However, after ultrafiltration, the resulting material was considered extra purified. It was concentrated in an ultrafiltration centrifuge tube, and the resulting protein/lysozyme was used to determine its bactericidal potential against five bacterial strains, including three gram-positive (Bacillus subtilis 168, Micrococcus luteus, and Bacillus cereus) and two gram-negative (Salmonella typhimurium and Pseudomonas aeruginosa) strains. The results of ZOI and MIC/MBC showed that lysozyme had a higher antimicrobial activity against gram-positive than gram-negative bacterial strains. The results of the antibacterial activity of lysozyme were compared with those of ciprofloxacin (antibiotic). For this purpose, two indices were applied in the present study: antimicrobial index (AMI) and percent activity index (PAI). It was found that the purified lysozyme had a higher antibacterial activity against Bacillus cereus (AMI/PAI; 1.01/101) and Bacillus subtilis 168 (AMI/PAI; 1.03/103), compared to the antibiotic (ciprofloxacin) used in this study. Atomic force microscopy (AFM) was used to determine the bactericidal action of the lysozyme on the bacterial cell. The purified protein was further processed by gel column chromatography and the eluate was collected, its enzymatic activity was 21.93 U/mL, while the eluate was processed by native-PAGE. By this analysis, the un-denatured protein with enzymatic activity of 40.9 U/mL was obtained. This step shows that the protein (lysozyme) has an even higher enzymatic potential. To determine the specific peptides (in lysozyme) that may cause the bactericidal potential and cell lytic/enzymatic activity, the isolated protein (lysozyme) was further processed by the SDS-PAGE technique. SDS-PAGE analysis revealed different bands with sizes of 34 kDa, 24 kDa, and 10 kDa, respectively. To determine the chemical composition of the peptides, the bands (from SDS-PAGE) were cut, enzymatically digested, desalted, and analyzed by LC-MS (liquid chromatography-mass spectrometry). LC-MS analysis showed that the purified lysozyme had the following composition: the number of proteins in the sample was 56, the number of peptides was 124, and the number of PSMs (peptide spectrum matches) was 309. Among them, two peptides related to lysozyme and bactericidal activities were identified as: A0A1Q9G213 (N-acetylmuramoyl-L-alanine amidase) and A0A1Q9FRD3 (D-alanyl-D-alanine carboxypeptidase). The corresponding protein sequence and nucleic acid sequence were determined by comparison with the database.
Solid-Phase Parallel Synthesis of Dual Histone Deacetylase-Cyclooxygenase Inhibitors
Authors: Bachmann Luisa M. , Hanl Maria , Feller Felix , Sinatra Laura , Schöler Andrea , Pietzsch Jens , Laube Markus , Hansen Finn K.
Published: January 2023

Multi-target drugs (MTDs) are emerging alternatives to combination therapies. Since both histone deacetylases (HDACs) and cyclooxygenase-2 (COX-2) are known to be overexpressed in several cancer types, we herein report the design, synthesis, and biological evaluation of a library of dual HDAC-COX inhibitors. The designed compounds were synthesized via an efficient parallel synthesis approach using preloaded solid-phase resins. Biological in vitro assays demonstrated that several of the synthesized compounds possess pronounced inhibitory activities against HDAC and COX isoforms. The membrane permeability and inhibition of cellular HDAC activity of selected compounds were confirmed by whole-cell HDAC inhibition assays and immunoblot experiments. The most promising dual inhibitors, C3 and C4, evoked antiproliferative effects in the low micromolar concentration range and caused a significant increase in apoptotic cells. In contrast to previous reports, the simultaneous inhibition of HDAC and COX activity by dual HDAC-COX inhibitors or combination treatments with vorinostat and celecoxib did not result in additive or synergistic anticancer activities.
Mechanistic Approaches to the Application of Nano-Zinc in the Poultry and Biomedical Industries: A Comprehensive Review of Future Perspectives and Challenges
Authors: Younas Zohaib , Mashwani Zia Ur Rehman , Ahmad Ilyas , Khan Maarij , Zaman Shah , Sawati Laraib , Sohail
Published: January 2023

Bio-fortification is a new, viable, cost-effective, and long-term method of administering crucial minerals to a populace with limited exposure to diversified foods and other nutritional regimens. Nanotechnology entities aid in the improvement of traditional nutraceutical absorption, digestibility, and bio-availability. Nano-applications are employed in poultry systems utilizing readily accessible instruments and processes that have no negative impact on animal health and welfare. Nanotechnology is a sophisticated innovation in the realm of biomedical engineering that is used to diagnose and cure various poultry ailments. In the 21st century, zinc nanoparticles had received a lot of considerable interest due to their unusual features. ZnO NPs exhibit antibacterial properties; however, the qualities of nanoparticles (NPs) vary with their size and structure, rendering them adaptable to diverse uses. ZnO NPs have shown remarkable promise in bio-imaging and drug delivery due to their high bio-compatibility. The green synthesized nanoparticles have robust biological activities and are used in a variety of biological applications across industries. The current review also discusses the formulation and recent advancements of zinc oxide nanoparticles from plant sources (such as leaves, stems, bark, roots, rhizomes, fruits, flowers, and seeds) and their anti-cancerous activities, activities in wound healing, and drug delivery, followed by a detailed discussion of their mechanisms of action.
Generation of Aurachin Derivatives by Whole-Cell Biotransformation and Evaluation of Their Antiprotozoal Properties
Authors: Kruth Sebastian , Zimmermann Cindy J.-M. , Kuhr Katharina , Hiller Wolf , Lütz Stephan , Pietruszka Jörg , Kaiser Marcel , Nett Markus
Published: January 2023

The natural product aurachin D is a farnesylated quinolone alkaloid, which is known to possess activity against the causative agent of malaria, Plasmodium spp. In this study, we show that aurachin D inhibits other parasitic protozoa as well. While aurachin D had only a modest effect on Trypanosoma brucei rhodesiense, two other trypanosomatids, T. cruzi and Leishmania donovani, were killed at low micromolar and nanomolar concentrations, respectively, in an in vitro assay. The determined IC50 values of aurachin D were even lower than those of the reference drugs benznidazole and miltefosine. Due to these promising results, we set out to explore the impact of structural modifications on the bioactivity of this natural product. In order to generate aurachin D derivatives with varying substituents at the C-2, C-6 and C-7 position of the quinolone ring system, we resorted to whole-cell biotransformation using a recombinant Escherichia coli strain capable of aurachin-type prenylations. Quinolone precursor molecules featuring methyl, methoxy and halogen groups were fed to this E. coli strain, which converted the substrates into the desired analogs. None of the generated derivatives exhibited improved antiprotozoal properties in comparison to aurachin D. Obviously, the naturally occurring aurachin D features already a privileged structure, especially for the inhibition of the causative agent of visceral leishmaniasis.
Acknowledgment to the Reviewers of Quantum Reports in 2022
Authors:   Quantum Reports Editorial Office
Published: January 2023

High-quality academic publishing is built on rigorous peer review [...]
Is God’s Moral Perfection Reducible to His Love?
Authors: Craig William Lane
Published: January 2023

Defenders of the identity thesis maintain that God’s moral perfection is reducible to and identical to His love. Unfortunately, this thesis overlooks the fact that, biblically, God‘s righteousness comprises both His love and justice. Moreover, divine justice is, in some significant measure, retributive in nature. This is especially evident in God’s eschatological punishment of the wicked, which can be justified only on retributive grounds. Such a retributive punishment cannot be attributed to love but is the just desert of the wicked.
Automatic Damage Detection and Diagnosis for Hydraulic Structures Using Drones and Artificial Intelligence Techniques
Authors: Zhu Yantao , Tang Hongwu
Published: January 2023

Large-volume hydraulic concrete structures, such as concrete dams, often suffer from damage due to the influence of alternating loads and material aging during the service process. The occurrence and further expansion of cracks will affect the integrity, impermeability, and durability of the dam concrete. Therefore, monitoring the changing status of cracks in hydraulic concrete structures is very important for the health service of hydraulic engineering. This study combines computer vision and artificial intelligence methods to propose an automatic damage detection and diagnosis method for hydraulic structures. Specifically, to improve the crack feature extraction effect, the Xception backbone network, which has fewer parameters than the ResNet backbone network, is adopted. With the aim of addressing the problem of premature loss of image detail information and small target information of tiny cracks in hydraulic concrete structures, an adaptive attention mechanism image semantic segmentation algorithm based on Deeplab V3+ network architecture is proposed. Crack images collected from concrete structures of different types of hydraulic structures were used to develop crack datasets. The experimental results show that the proposed method can realize high-precision crack identification, and the identification results have been obtained in the test set, achieving 90.537% Intersection over Union (IOU), 91.227% Precision, 91.301% Recall, and 91.264% F1_score. In addition, the proposed method has been verified on different types of cracks in actual hydraulic concrete structures, further illustrating the effectiveness of the method.
HUMANISE: Human-Inspired Smart Management, towards a Healthy and Safe Industrial Collaborative Robotics
Authors: Lopez-de-Ipina Karmele , Iradi Jon , Fernandez Elsa , Calvo Pilar M. , Salle Damien , Poologaindran Anujan , Villaverde Ivan , Daelman Paul , Sanchez Emilio , Requejo Catalina , Suckling John
Published: January 2023

The workplace is evolving towards scenarios where humans are acquiring a more active and dynamic role alongside increasingly intelligent machines. Moreover, the active population is ageing and consequently emerging risks could appear due to health disorders of workers, which requires intelligent intervention both for production management and workers’ support. In this sense, the innovative and smart systems oriented towards monitoring and regulating workers’ well-being will become essential. This work presents HUMANISE, a novel proposal of an intelligent system for risk management, oriented to workers suffering from disease conditions. The developed support system is based on Computer Vision, Machine Learning and Intelligent Agents. Results: The system was applied to a two-arm Cobot scenario during a Learning from Demonstration task for collaborative parts transportation, where risk management is critical. In this environment with a worker suffering from a mental disorder, safety is successfully controlled by means of human/robot coordination, and risk levels are managed through the integration of human/robot behaviour models and worker’s models based on the workplace model of the World Health Organization. The results show a promising real-time support tool to coordinate and monitoring these scenarios by integrating workers’ health information towards a successful risk management strategy for safe industrial Cobot environments.
Field-Based Biomechanical Assessment of the Snatch in Olympic Weightlifting Using Wearable In-Shoe Sensors and Videos—A Preliminary Report
Authors: Ang Cheng Loong , Kong Pui Wah
Published: January 2023

Traditionally, the biomechanical analysis of Olympic weightlifting movements required laboratory equipment such as force platforms and transducers, but such methods are difficult to implement in practice. This study developed a field-based method using wearable technology and videos for the biomechanical assessment of weightlifters. To demonstrate the practicality of our method, we collected kinetic and kinematic data on six Singapore National Olympic Weightlifters. The participants performed snatches at 80% to 90% of their competition one-repetition maximum, and the three best attempts were used for the analysis. They wore a pair of in-shoe force sensors loadsol® (novel, Munich, Germany) to measure the vertical ground reaction forces under each foot. Concurrently, a video camera recorded the barbell movement from the side. The kinematics (e.g., trajectories and velocities) of the barbell were extracted using a free video analysis software (Kinovea). The power–time history was calculated from the force and velocity data. The results showed differences in power, force, and barbell velocity with moderate to almost perfect reliability. Technical inconsistency in the barbell trajectories were also identified. In conclusion, this study presented a simple and practical approach to evaluating weightlifters using in-shoe wearable sensors and videos. Such information can be useful for monitoring progress, identifying errors, and guiding training plans for weightlifters.
A Study on the Role of Affective Feedback in Robot-Assisted Learning
Authors: Błażejowska Gabriela , Gruba Łukasz , Indurkhya Bipin , Gunia Artur
Published: January 2023

In recent years, there have been many approaches to using robots to teach computer programming. In intelligent tutoring systems and computer-aided learning, there is also some research to show that affective feedback to the student increases learning efficiency. However, a few studies on the role of incorporating an emotional personality in the robot in robot-assisted learning have found different results. To explore this issue further, we conducted a pilot study to investigate the effect of positive verbal encouragement and non-verbal emotive behaviour of the Miro-E robot during a robot-assisted programming session. The participants were tasked to program the robot’s behaviour. In the experimental group, the robot monitored the participants’ emotional state via their facial expressions, and provided affective feedback to the participants after completing each task. In the control group, the robot responded in a neutral way. The participants filled out a questionnaire before and after the programming session. The results show a positive reaction of the participants to the robot and the exercise. Though the number of participants was small, as the experiment was conducted during the pandemic, a qualitative analysis of the data was carried out. We found that the greatest affective outcome of the session was for students who had little experience or interest in programming before. We also found that the affective expressions of the robot had a negative impact on its likeability, revealing vestiges of the uncanny valley effect.
Modeling and Optimization of the Creep Behavior of Multicomponent Copolymer Nanocomposites
Authors: Bi Gangping , Xiao Bowen , Lin Yuanchang , Yan Shaoqiu , Li Shuge , Tang Ying , He Guotian
Published: January 2023

Polymer creep can significantly reduce the safety and dependability of composite applications, restricting their development and use in additional fields. In this study, single-factor and multi-factor analysis techniques were employed to systematically explore the impacts of nickel powder and graphene on the resistive creep of sensing units. The creep model between the rate of resistance changes and the pressure was established, and the material ratio was optimized to obtain a high creep resistance. The results demonstrated that the creep resistance was best when the filling particle was 10 wt.% and the ratio of nickel powder to graphene was 4:21, which was approximately 60% and 45% lower than the filling alone and the composite filling before optimization, respectively; the R2 of the theoretical value of the resistance creep model and the experimental value of the creep before and after optimization was 0.9736 and 0.9812, indicating that the resistance creep model was highly accurate. Consequently, the addition of filler particles with acceptable proportions, varied shapes, and different characteristics to polymers can effectively reduce polymer creep and has significant potential for the manufacture of sensing units for tactile sensors.
High-Fidelity 3D Stray Magnetic Field Mapping of Smartphones to Address Safety Considerations with Active Implantable Electronic Medical Devices
Authors: Saha Nandita , Millward Jason M. , Herrmann Carl J. J. , Rahimi Faezeh , Han Haopeng , Lacour Philipp , Blaschke Florian , Niendorf Thoralf
Published: January 2023

Case reports indicate that magnets in smartphones could be a source of electromagnetic interference (EMI) for active implantable medical devices (AIMD), which could lead to device malfunction, compromising patient safety. Recognizing this challenge, we implemented a high-fidelity 3D magnetic field mapping (spatial resolution 1 mm) setup using a three-axis Hall probe and teslameter, controlled by a robot (COSI Measure). With this setup, we examined the stray magnetic field of an iPhone 13 Pro, iPhone 12, and MagSafe charger to identify sources of magnetic fields for the accurate risk assessment of potential interferences with AIMDs. Our measurements revealed that the stray fields of the annular array of magnets, the wide-angle camera, and the speaker of the smartphones exceeded the 1 mT limit defined by ISO 14117:2019. Our data-driven safety recommendation is that an iPhone 13 Pro should be kept at least 25 mm away from an AIMD to protect it from unwanted EMI interactions. Our study addresses safety concerns due to potential device–device interactions between smartphones and AIMDs and will help to define data-driven safety guidelines. We encourage vendors of electronic consumer products (ECP) to provide information on the magnetic fields of their products and advocate for the inclusion of smartphones in the risk assessment of EMI with AIMDs.