bluuebunny/crossref_metadata_2025 huggingface dataset:
Structure, Biodegradation, and In Vitro Bioactivity of Zn–1%Mg Alloy Strengthened by High-Pressure Torsion
Authors: Martynenko Natalia , Anisimova Natalia , Rybalchenko Olga , Kiselevskiy Mikhail , Rybalchenko Georgy , Tabachkova Natalia , Zheleznyi Mark , Temralieva Diana , Bazhenov Viacheslav , Koltygin Andrey , Sannikov Andrey , Dobatkin Sergey
Published: December 2022

The effect of high-pressure torsion (HPT) on the microstructure, phase composition, mechanical characteristics, degradation rate, and bioactive properties of the Zn–1%Mg alloy is studied. An ultrafine-grained (UFG) structure with an average grain size of α-Zn equal to 890 ± 26 nm and grains and subgrains of the Mg2Zn11 and MgZn2 phases with a size of 50–100 nm are formed after HPT. This UFG structure leads to an increase in the ultimate tensile strength of the alloy by ~3 times with an increase in elongation to 6.3 ± 3.3% due to the formation of a basal texture. The study of corrosion resistance did not show a significant effect of HPT on the degradation rate of the alloy. In addition, no significant changes in the bioactivity of the alloy after HPT: hemolysis, cellular colonization and Escherichia coli growth inhibition.
Tunable Energy Absorbing Property of Bilayer Amorphous Glass Foam via Dry Powder Printing
Authors: Park Jungjin , Howard John , Edery Avi , DeMay Matthew , Wereley Norman
Published: December 2022

The research in this paper entails the design of material systems with tunable energy-absorbing properties. Hollow glass microspheres of different densities are layered using dry powder printing and subsequently sintered to form a cellular structure. The tunability of the bilayer foams is investigated using various combinations of hollow microspheres with different densities and different thickness ratios of the layers. The mechanical responses to quasi-static uniaxial compression of the bilayer foams are also investigated. These bilayer samples show different mechanical responses from uniform samples with a distinctive two-step stress–strain profile that includes a first and second plateau stress. The strain where the second plateau starts can be tuned by adjusting the thickness ratio of the two layers. The resulting tunable stress–strain profile demonstrates tunable energy absorption. The tunability is found to be more significant if the density values of each layer differ largely. For comparison, bilayer samples are fabricated using epoxy at the interface instead of a sintering process and a different mechanical response is shown from a sintered sample with the different stress–strain profile. Designing the layered foams allows tuning of the stress–strain profile, enabling desired energy-absorbing properties which are critical in diverse impact conditions.
Association of Uric Acid Albumin Ratio with Recurrence of Atrial Fibrillation after Cryoballoon Catheter Ablation
Authors: Karataş Mehmet Baran , Durmuş Gündüz , Zengin Ahmet , Gökalp Murat , Hayıroğlu Mert İlker , Çınar Tufan , Gürkan Kadir , Çam Neşe
Published: December 2022

Objective: Despite improvements in the technology of catheter ablation of atrial fibrillation (AF), recurrences are still a major problem, even after a successful procedure. The uric acid/albumin ratio (UAR), which is an inexpensive and simple laboratory parameter, has recently been introduced in the literature as a predictor of adverse cardiovascular events. Hence, we aimed to investigate the relationship between the UAR and AF recurrence after catheter ablation. Methods: A total of 170 patients who underwent successful catheter ablation for AF were included. The primary outcome was the late recurrence after treatment. The recurrence (+) and recurrence (−) groups were compared for clinical, laboratory and procedural characteristics as well as the predictors of recurrence assessed by regression analysis. Results: In our study population, 53 (26%) patients developed AF recurrence after catheter ablation. Mean UAR was higher in the recurrence (+) group compared to recurrence (−) group (2.4 ± 0.9 vs. 1.8 ± 0.7, p < 0.01). In multivariable regression analysis, left atrial diameter (HR: 1.08, 95% CI: 1.01–1.16, p = 0.01) and UAR (HR:1.36, 95% CI: 1.06–1.75, p = 0.01) were found to be independent predictors of recurrence. In ROC analysis, the UAR > 1.67 predicted recurrence with a sensitivity of 77% and a specificity of 57% (AUC 0.68, p < 0.01). Conclusion: For the first time in the literature, the UAR were found to be correlated independently with AF recurrence after catheter ablation.
Erythema Nodosum following Nocardia Infection: A Case Report
Authors: Li Sujing , Ji Bingzhou , Teng Yan , Tang Hui , Cui Hong , Tao Xiaohua , Fan Yibin , Huang Youming
Published: December 2022

Cutaneous nocardiosis is a rare bacterial infection that can result in various dermatologic manifestations such as actinomycetoma, lymphocutaneous infection, superficial skin infection, and secondary infection due to hematogenous dissemination. We report on a Chinese patient with erythema nodosum-like exanthema, possibly secondary to nocardiosis. Our diagnosis for this patient was based on the clinical presentation, histopathological evidence, and microbiological findings. Given the protean manifestation of Nocardia, persistent reports on new presentations of the disease are important for early identification and treatment.
Flower-Shaped CoS-Co2O3/G-C3N4 Nanocomposite for Two-Symmetric-Electrodes Supercapacitor of High Capacitance Efficiency Examined in Basic and Acidic Mediums
Authors: Rabia Mohamed , Essam Doaa , Alkallas Fatemah H. , Shaban Mohamed , Elaissi Samira , Ben Gouider Trabelsi Amira
Published: December 2022

Graphitic carbon nitride (G-C3N4) was synthesized through the direct combustion of urea in the air. The CoS-Co2O3/G-C3N4 composite was synthesized via the hydrothermal method of G-C3N4 using cobalt salts. The morphological and chemical structures were determined through XRD, XPS, SEM, and TEM. XRD and XPS analyses confirmed the chemical structure, function groups, and elements percentage of the prepared nanocomposite. SEM measurements illustrated the formation of G-C3N4 sheets, as well as the flower shape of the CoS-Co2O3/G-C3N4 composite, evidenced through the formation of nano appendages over G-C3N4 sheets. TEM confirmed the 2D nanosheets of G-C3N4 with an average width and length of 80 nm and 170 nm, respectively. Two symmetric electrodes for the supercapacitor from the CoS-Co2O3/G-C3N4 composite. Electrochemical measurements were carried out to determine the charge/discharge, cyclic voltammetry, stability, and impedance of the prepared supercapacitor. The measurements were carried out under acid (0.5 M HCL) and basic (6.0 M NaOH) mediums. The charge and discharge lifetime values in the acid and base medium were 85 and 456 s, respectively. The cyclic voltammetry behavior was rectangular in a base medium for the pseudocapacitance feature. The supercapacitor had 100% stability retention up to 600 cycles; then, the stability decreased to 98.5% after 1000 cycles. The supercapacitor displayed a specific capacitance (CS) of 361 and 92 F/g, and an energy density equal to 28.7 and 30.2 W h kg−1 in the basic and acidic mediums, respectively. Our findings demonstrate the capabilities of supercapacitors to become an alternative solution to batteries, owing to their easy and low-cost manufacturing technique.
Preparation, Characterization and Magneto-Optical Properties of Sm-Doped Y2O3 Polycrystalline Material
Authors: Kruk Andrzej , Ziewiec Krzysztof
Published: December 2022

In this paper, physicochemical properties of pure Y2O3 and samarium (Sm)-doped Y2O3 transparent ceramics obtained via arc plasma melting are presented. Yttria powder with a selected molar fraction of Sm was first synthesized by a solid-state reaction method. High transparent yttria ceramics were obtained by arc plasma melting from both the pure and Sm oxide-doped powders. The morphological, chemical and physical properties were investigated by X-ray diffraction and scanning electron microscopy. The optical band gap was calculated from the absorption spectra so as to understand the electronic band structure of the studied materials. Samples indicate a series of luminescence bands in the visible region after excitation by laser light in the range from 210 to 250 nm. Magneto-optical measurements were carried out in the 300–800 nm range at room temperature. It can be seen that a maximum Verdet constant ca. 24.81 deg/T cm was observed for 405 nm and this value decreases with increasing wavelength. The potential usefulness of the polycrystalline material dedicated to optics devices is presented.
Liquid-Metal-Based Magnetic Controllable Soft Microswitch with Rapid and Reliable Response for Intelligent Soft Systems
Authors: Jiang Qin , Hu Zhitong , Xie Yaping , Wu Kefan , Zhang Shuo , Wu Zhigang
Published: December 2022

When combined with diverse sensors, soft robots significantly improve their functionalities and intelligence levels. However, most of the existing soft sensors require complex signal analysis devices or algorithms, which severely increase the complexity of soft robot systems. Here, based on the unique fluidic property of liquid metal, we propose a magnet-controllable soft microswitch that can be well-integrated into a soft robot system, e.g., a soft gripper to help it facilely detect and precisely grab objects. The microswitch consists of a flexible soft beam electrode and a fixed electrode, forming a soft microsystem. By tuning the cohesion force of the liquid metal between the electrodes, the microswitch can convert its states between an individual and a self-locking state. The microswitch can achieve a reasonable rapid response (~12 ms) and high switching frequency (~95 Hz). Furthermore, soft microswitches can be customized into logic units and also coupled to control a digital tube showing various numbers. Our work provides a new simple soft sensor unit that may enhance the intelligence of soft systems.
Acute Toxicity Evaluation of Lindane-Waste Contaminated Soils Treated by Surfactant-Enhanced ISCO
Authors: Santos Aurora , García-Cervilla Raúl , Checa-Fernández Alicia , Domínguez Carmen M. , Lorenzo David
Published: December 2022

The discharge of lindane wastes in unlined landfills causes groundwater and soil pollution worldwide. The liquid waste generated (a mixture of 28 chlorinated organic compounds, COCs) constitutes a dense non-aqueous phase liquid (DNAPL) that is highly persistent. Although in situ chemical oxidation (ISCO) is effective for degrading organic pollutants, the low COCs solubility requires high reaction times. Simultaneous injection of surfactants and oxidants (S-ISCO) is a promising technology to solve the limitation of ISCO treatment. The current work studies the remediation of highly polluted soil (COCs = 3682 mg/kg) obtained at the Sardas landfill (Sabiñáñigo, Spain) by ISCO and S-ISCO treatments. Special attention is paid to acute soil toxicity before and after the soil treatment. Microtox®, modified Basic Solid-Phase Test (mBSPT) and adapted Organic Solvent Sample Solubilization Test (aOSSST) were used for this scope. Persulfate (PS, 210 mM) activated by alkali (NaOH, 210 mM) was used in both ISCO and S-ISCO runs. A non-ionic and biodegradable surfactant selected in previous work, Emulse®3 (E3, 5, and 10 g/L), was applied in S-ISCO experiments. Runs were performed in soil columns filled with 50 g of polluted soil, with eight pore volumes (Pvs) of the reagents injected and 96 h between successive Pv injections. The total treatment time was 32 days. The results were compared with those corresponding without surfactant (ISCO). After remediation treatments, soils were water-washed, simulating the conditions of groundwater flux in the subsoil. The treatments applied highly reduced soil toxicity (final soil toxicity equivalent to that obtained for non-contaminated soil, mBSPT) and organic extract toxicity (reduction > 95%, aOSSST). Surfactant application did not cause an increase in the toxicity of the treated soil, highlighting its suitability for full-scale applications.
Progress in C-C and C-Heteroatom Bonds Construction Using Alcohols as Acyl Precursors
Authors: Zhao Feng , Tan Bin , Li Qing , Tan Qi , Huang Huawen
Published: December 2022

Acyl moiety is a common structural unit in organic molecules, thus acylation methods have been widely explored to construct various functional compounds. While the traditional Friedel–Crafts acylation processes work to allow viable construction of arylketones under harsh acid conditions, recent progress on developing acylation methods focused on the new reactivity discovery by exploiting versatile and easily accessible acylating reagents. Of them, alcohols are cheap, have low toxicity, and are naturally abundant feedstocks; thus, they were recently used as ideal acyl precursors in molecule synthesis for ketones, esters, amides, etc. In this review, we display and discuss recent advances in employing alcohols as unusual acyl sources to form C-C and C-heteroatom bonds, with emphasis on the substrate scope, limitations, and mechanism.
Hepatoprotective Effect of Millettia dielsiana: In Vitro and In Silico Study
Authors: Le Vu Thi Thu , Hung Dao Viet , Quy Bui Minh , Minh Pham Thi Hong , Lam Do Tien
Published: December 2022

In silico docking studies of 50 selected compounds from Millettia dielsiana Harms ex Diels (family Leguminosae) were docked into the binding pocket of the PI3K/mTOR protein. In there, compounds trans−3−O-p-hydroxycinnamoyl ursolic acid (1) and 5,7,4′−trihydroxyisoflavone 7−O−β−D−apiofuranosyl−(1→6)−β−D−glucopyranoside (2) are predicted to be very promising inhibitors against PI3K/mTOR. They direct their cytotoxic activity against Hepatocellular carcinoma with binding affinity (BA) values, the pulling work spent to the co-crystallized ligand from the binding site of PI3K/mTOR (W and Fmax), and the non-equilibrium binding free energy (∆GneqJar) as BA values = −9.237 and −9.083 kcal/mol, W = 83.5 ± 10.6 kcal/mol with Fmax = 336.2 ± 45.3 pN and 126.6 ± 21.7 kcal/mol with Fmax = 430.3 ± 84.0 pN, and ∆GneqJar = −69.86074 and −101.2317 kcal/mol, respectively. In molecular dynamic simulation, the RMSD value of the PI3K/mTOR complex with compounds (1 and 2) was in the range of 0.3 nm to the end of the simulation. Therefore, the compounds (1 and 2) are predicted to be very promising inhibitors against PI3K/mTOR. The crude extract, ethyl acetate fraction and compounds (1 and 2) from Millettia dielsiana exhibited moderate to potent in vitro cytotoxicity on Hepatocellular carcinoma cell line with IC50 values of 81.2 µg/mL, 60.4 µg/mL, 23.1 μM, and 16.3 μM, respectively, and showed relatively potent to potent in vitro antioxidant activity on mouse hepatocytes with ED50 values of 24.4 µg/mL, 19.3 µg/mL, 30.7 μM, and 20.5 μM, respectively. In conclusion, Millettia dielsiana and compounds (1 and 2) are predicted to have very promising cytotoxic activity against Hepatocellular carcinoma and have a hepatoprotective effect.
Mesomorphic, Computational Investigations and Dyeing Applications of Laterally Substituted Dyes
Authors: Ahmed Hoda A. , El-Atawy Mohamed A. , Alamro Fowzia S. , Al-Kadhi Nada S. , Alhaddad Omaima A. , Omar Alaa Z.
Published: December 2022

Two groups of laterally substituted non-mesomorphic and liquid crystalline materials bearing monoazo group were prepared and investigated via experimental and theoretical techniques. The molecular structures of the designed dyes were evaluated by FT-IR and NMR spectroscopic analyses. Mesomorphic examinations for all synthesized dyes were investigated by polarized optical microscopy (POM) and differential scanning calorimetry (DSC). Results revealed that, the thermal and optical properties of investigated compounds are mainly dependent on their molecular geometry. The optimized geometries of the azo derivatives and their electronic absorption of the dyes were carried out using the B3LYP/6-311G level of the DFT method. The azo dyes were measured for their dyeing performance on polyester fabrics. The dyed fabrics have excellent fastness properties with a color strength of 1.49–3.43 and an exhaustion rate of 82–64%. The chemical descriptor parameters of disperse azo dyes in gas phase were calculated and correlated with dyeing parameters.
Farang (Psidium guajava L.) Dried Leaf Extracts: Phytochemical Profiles, Antioxidant, Anti-Diabetic, and Anti-Hemolytic Properties for Ruminant Health and Production
Authors: Purba Rayudika Aprilia Patindra , Paengkoum Pramote
Published: December 2022

Due to its advantageous antioxidant phytochemical components, Psidium guajava L. has become an indispensable plant in pharmaceutical formulations, playing a crucial role in safeguarding human health. On ruminant animals, however, there has been limited investigation. The purpose of this investigation was to assess the phytochemical profiles and biological potential of Farang (P. guajava L.) leaf extracts for ruminant health. Methanolic and hexanoic extracts from various agricultural areas were prepared over a five-month period. By means of HPLC-DAD, vitamin C (ascorbic acid), essential oil (eugenol), tannin (gallic acid), cinnamic acids (caffeic acid, syringic acid, p-coumaric acid, sinapic acid, and ferulic acid), and flavonoids (catechin, rutin, myricetin, quercetin, apigenin, and kaempferol) were detected and quantified. Solvent type, but not cultivation site or sampling time, explained the observed variation in phytochemical profile. Phytochemicals were found in lower concentrations in hexanoic extracts than in methanolic extracts. Catechin and sinapic acid were discovered to be the two most abundant phytochemicals in the methanolic extract of Farang leaf, followed by other phenolic compounds, essential oils, and water-soluble vitamins. Compared with the methanolic extract, the hexanoic extract of Farang leaves was less effective at scavenging oxidation in terms of 1,1-diphenyl-2-picrylhydrazyl (DPPH), nitric oxide, and superoxide, and α-glucosidase inhibitory activity. Hexanoic extract was found to be less protective against oxidative damage in ruminant erythrocytes than methanolic extract in terms of inhibiting hemoglobin oxidation, lipid peroxidation, and hemolysis. According to the findings of this study, the leaves of Farang (P. guajava L.) are a potential source of phytochemical compounds with wellness properties for ruminant production.
Studies on the Selective Syntheses of Sodium Ditelluride and Dialkyl Ditellurides
Authors: Kim Chorong , Lim Yoo Jin , Kim Ye Eun , Cho Hyunsung , Lee Sang Hyup
Published: December 2022

Studies on the selective synthetic method for dialkyl ditellurides 1, a representative class of organyl tellurium compounds, were presented. Considering the difficulty in conducting previous harsh reactions and in suppressing the formation of dialkyl tellurides 2 as side products, we optimized reaction conditions for selective syntheses of sodium ditelluride and the corresponding dialkyl ditellurides 1. We reduced tellurium to sodium ditelluride by using NaBH4 and subsequently, treated the obtained sodium ditelluride with alkyl halides (RX) to give the target compounds 1. Consequently, by applying various alkyl halides (RX) we achieved the selective syntheses of dialkyl ditellurides 1 (13 examples with 4 new compounds) in modest to good yields. We also suggested the mechanistic pathways to dialkyl ditellurides 1.
Antioxidant Properties of Gluten-Free Pasta Enriched with Vegetable By-Products
Authors: Betrouche Amel , Estivi Lorenzo , Colombo Davide , Pasini Gabriella , Benatallah Leila , Brandolini Andrea , Hidalgo Alyssa
Published: December 2022

The only therapy for coeliac disease patients is to completely avoid foods containing gluten, a protein complex common in several small-grain cereals. However, many alternative gluten-free foods available on the market present nutritional deficiencies. Therefore, the aim of this research was to evaluate the composition and the antioxidant properties of gluten-free pasta enriched with 10% or 15% of tomato waste or linseed meal, two food industry by-products. The traits analysed were protein, lipid, ash and fibre content, heat damage, tocols, carotenoids and phenolics composition (by HPLC), antioxidant capacity, and pasta fracturability. The enriched pastas contained more fibre and lipids than the control, while the protein and ash values were similar. The addition of tomato and linseed waste improved tocols concentration but had no effect on carotenoids content. The free soluble polyphenols increase was similar for both by-products and proportional to the enrichment percentage, while the bound insoluble polyphenols were higher in linseed-enriched pastas. The samples with linseed meal showed the greatest antioxidant capacity and, at 10% addition, the highest fracturability value. In conclusion, the addition of tomato and linseed by-products significantly increases the presence of bioactive compounds (particularly polyphenols), improving the nutritional value of gluten-free pasta.
Comparative Metabolomic Profiling Reveals Key Secondary Metabolites Associated with High Quality and Nutritional Value in Broad Bean (Vicia faba L.)
Authors: Shi Shou-Heng , Lee Seung-Seop , Zhu Ya-Ming , Jin Zhu-Qun , Wu Fei-Bo , Qiu Cheng-Wei
Published: December 2022

High quality and nutritional benefits are ultimately the desirable features that influence the commercial value and market share of broad bean (Vicia faba L.). Different cultivars vary greatly in taste, flavor, and nutrition. However, the molecular basis of these traits remains largely unknown. Here, the grain metabolites of the superior Chinese landrace Cixidabaican (CX) were detected by a widely targeted metabolomics approach and compared with the main cultivar Lingxiyicun (LX) from Japan. The analyses of global metabolic variations revealed a total of 149 differentially abundant metabolites (DAMs) were identified between these two genotypes. Among them, 84 and 65 were up- and down-regulated in CX compared with LX. Most of the DAMs were closely related to healthy eating substances known for their antioxidant and anti-cancer properties, and some others were involved in the taste formation. The KEGG-based classification further revealed that these DAMs were significantly enriched in 21 metabolic pathways, particularly in flavone and flavonol biosynthesis. The differences in key secondary metabolites, including flavonoids, terpenoids, amino acid derivates, and alkaloids, may lead to more nutritional value in a healthy diet and better adaptability for the seed germination of CX. The present results provide important insights into the taste/quality-forming mechanisms and contributes to the conservation and utilization of germplasm resources for breeding broad bean with superior eating quality.
2-(2-(Dimethylamino)vinyl)-4H-pyran-4-ones as Novel and Convenient Building-Blocks for the Synthesis of Conjugated 4-Pyrone Derivatives
Authors: Obydennov Dmitrii L. , Nigamatova Diana I. , Shirinkin Alexander S. , Melnikov Oleg E. , Fedin Vladislav V. , Usachev Sergey A. , Simbirtseva Alena E. , Kornev Mikhail Y. , Sosnovskikh Vyacheslav Y.
Published: December 2022

A straightforward approach for the construction of the new class of conjugated pyrans based on enamination of 2-methyl-4-pyrones with DMF-DMA was developed. 2-(2-(Dimethylamino)vinyl)-4-pyrones are highly reactive substrates that undergo 1,6-conjugate addition/elimination or 1,3-dipolar cycloaddition/elimination followed by substitution of the dimethylamino group without ring opening. This strategy includes selective transformations leading to conjugated and isoxazolyl-substituted 4-pyrone structures. The photophysical properties of the prepared 4-pyrones were determined in view of further design of novel merocyanine fluorophores. A solvatochromism was found for enamino-substituted 4-pyrones accompanied by a strong increase in fluorescence intensity in alcohols. The prepared conjugated structures demonstrated valuable photophysical properties, such as a large Stokes shift (up to 204 nm) and a good quantum yield (up to 28%).
Regulating the Electronic Structure of Freestanding Graphene on SiC by Ge/Sn Intercalation: A Theoretical Study
Authors: Luo Xingyun , Liang Guojun , Li Yanlu , Yu Fapeng , Zhao Xian
Published: December 2022

The intrinsic n-type of epitaxial graphene on SiC substrate limits its applications in microelectronic devices, and it is thus vital to modulate and achieve p-type and charge-neutral graphene. The main groups of metal intercalations, such as Ge and Sn, are found to be excellent candidates to achieve this goal based on the first-principle calculation results. They can modulate the conduction type of graphene via intercalation coverages and bring out interesting magnetic properties to the entire intercalation structures without inducing magnetism to graphene, which is superior to the transition metal intercalations, such as Fe and Mn. It is found that the Ge intercalation leads to ambipolar doping of graphene, and the p-type graphene can only be obtained when forming the Ge adatom between Ge layer and graphene. Charge-neutral graphene can be achieved under high Sn intercalation coverage (7/8 bilayer) owing to the significantly increased distance between graphene and deformed Sn intercalation. These findings would open up an avenue for developing novel graphene-based spintronic and electric devices on SiC substrate.
Synthesis of Chain-End Functional Polydienes Using Diene Comonomer Bearing Boronic Acid Masked with Diaminonaphthalene
Authors: Tanaka Ryo , Kuwabara Yuina , Nakayama Yuushou , Shiono Takeshi
Published: December 2022

Diene comonomers bearing boronic acid masked with 1,8-diaminonaphthalene (dan) were applied to copolymerization with isoprene or butadiene using neodymium borohydride complex as a catalyst. The comonomers were tolerant to excess modified methylaluminoxane (MMAO) and thus were applicable to the polymerization system using MMAO. On the other hand, the corresponding pinacol borate was highly reactive toward MMAO, and no incorporation into the obtained polymer was observed. A 13C NMR microstructural analysis of the hydrogenated copolymer revealed that all of the comonomers were located at the chain end. Further functionalization using the boron moiety at the polymer chain end was also investigated.
Copper-Catalyzed Asymmetric Sulfonylative Desymmetrization of Glycerol
Authors: Yamamoto Kosuke , Miyamoto Keisuke , Ueno Mizuki , Takemoto Yuki , Kuriyama Masami , Onomura Osamu
Published: December 2022

Glycerol is the main side product in the biodiesel manufacturing process, and the development of glycerol valorization methods would indirectly contribute the sustainable biodiesel production and decarbonization. Transformation of glycerol to optically active C3 units would be one of the attractive routes for glycerol valorization. We herein present the asymmetric sulfonylative desymmetrization of glycerol by using a CuCN/(R,R)-PhBOX catalyst system to provide an optically active monosulfonylated glycerol in high efficiency. A high degree of enantioselectivity was achieved with a commercially available chiral ligand and an inexpensive carbonate base. The optically active monosulfonylated glycerol was successfully transformed into a C3 unit attached with differentially protected three hydroxy moieties. In addition, the synthetic utility of the present reaction was also demonstrated by the transformation of the monosulfonylated glycerol into an optically active synthetic ceramide, sphingolipid E.
Fluorination of Terminal Groups Promoting Electron Transfer in Small Molecular Acceptors of Bulk Heterojunction Films
Authors: Chen Tao , Shi Rui , Gui Ruohua , Hu Haixia , Zhang Wenqing , Zhang Kangning , Cui Bin , Yin Hang , Gao Kun , Liu Jianqiang
Published: December 2022

The fluorination strategy is one of the most efficient and popular molecular modification methods to develop new materials for organic photovoltaic (OPV) cells. For OPV materials, it is a broad agreement that fluorination can reduce the energy level and change the morphology of active layers. To explore the effect of fluorination on small molecule acceptors, we selected two non-fullerene acceptors (NFA) based bulk heterojunction (BHJ) films, involving PM6:Y6 and PM6:Y5 as model systems. The electron mobilities of the PM6:Y5 and PM6:Y6 BHJ films are 5.76 × 10−7 cm2V−1s−1 and 5.02 × 10−5 cm2V−1s−1 from the space-charge-limited current (SCLC) measurements. Through molecular dynamics (MD) simulation, it is observed that halogen bonds can be formed between Y6 dimers, which can provide external channels for electron carrier transfer. Meanwhile, the “A-to-A” type J-aggregates are more likely to be generated between Y6 molecules, and the π–π stacking can be also enhanced, thus increasing the charge transfer rate and electron mobility between Y6 molecules.
Nerve Regeneration Effect of a Composite Bioactive Carboxymethyl Chitosan-Based Nerve Conduit with a Radial Texture
Authors: Zhang Yijie , Jiang Zhiwen , Wang Yanting , Xia Lixin , Yu Shuqin , Li Hongjian , Zhang Wei , Liu Wanshun , Shao Kai , Han Baoqin
Published: December 2022

Chitosan (CTS) has been used as a nerve guidance conduit (NGC) material for bridging peripheral nerve defects due to its biocompatible, biodegradable, and non-toxic properties. However, the nerve regeneration effect of chitosan alone is restricted due to its inadequate biological activity. Herein, a composite, bioactive chitosan based nerve conduit, consisting of outer warp-knitted tube scaffold made from medical-grade chitosan fiber, and inner porous cross linked carboxymethyl chitosan (C-CM-CTS) sponge with radial texture was developed. The inner wall of the scaffold was coated with C-CM-CTS solution. CM-CTS provided favorable bioactivities in the composite chitosan-based nerve conduit. An in vitro study of CM-CTS revealed its satisfying biocompatibility with fibroblast and its inhibition of oxidative damage to Schwann cells. As the internal filler of the NGC, the lyophilized sponge of C-CM-CTS showed a longitudinal guidance effect for nerve reconstruction. After 10 mm defect in rat sciatic nerve was bridged with the composite bioactive chitosan-based nerve conduit, the nerve conduit was able to effectively promote axonal regeneration and played a positive role in inducing nerve regeneration and functional recovery. In addition to the functional advantages, which are equal to those of an autograft; the technology for the preparation of this conduit can be put into mass production.
A Facile Synthesis of 2-Oxazolines via Dehydrative Cyclization Promoted by Triflic Acid
Authors: Yang Tao , Huang Chengjie , Jia Jingyang , Wu Fan , Ni Feng
Published: December 2022

2-oxazolines are common moieties in numerous natural products, pharmaceuticals, and functional copolymers. Current methods for synthesizing 2-oxazolines mainly rely on stoichiometric dehydration agents or catalytic dehydration promoted by specific catalysts. These conditions either generate stoichiometric amounts of waste or require forcing azeotropic reflux conditions. As such, a practical and robust method that promotes dehydrative cyclization while generating no byproducts would be attractive to oxazoline production. Herein, we report a triflic acid (TfOH)-promoted dehydrative cyclization of N-(2-hydroxyethyl)amides for synthesizing 2-oxazolines. This reaction tolerates various functional groups and generates water as the only byproduct. This method affords oxazoline with inversion of α-hydroxyl stereochemistry, suggesting that alcohol is activated as a leaving group under these conditions. Furthermore, the one-pot synthesis protocol of 2-oxazolines directly from carboxylic acids and amino alcohols is also provided.
Antiviral Potential of Small Molecules Cordycepin, Thymoquinone, and N6, N6-Dimethyladenosine Targeting SARS-CoV-2 Entry Protein ADAM17
Authors: He Jiayue , Liu Shuguang , Tan Qi , Liu Zhiying , Fu Jiewen , Li Ting , Wei Chunli , Liu Xiaoyan , Mei Zhiqiang , Cheng Jingliang , Wang Kai , Fu Junjiang
Published: December 2022

COVID-19 is an acute respiratory disease caused by SARS-CoV-2 that has spawned a worldwide pandemic. ADAM17 is a sheddase associated with the modulation of the receptor ACE2 of SARS-CoV-2. Studies have revealed that malignant phenotypes of several cancer types are closely relevant to highly expressed ADAM17. However, ADAM17 regulation in SARS-CoV-2 invasion and its role on small molecules are unclear. Here, we evaluated the ADAM17 inhibitory effects of cordycepin (CD), thymoquinone (TQ), and N6, N6-dimethyladenosine (m62A), on cancer cells and predicted the anti-COVID-19 potential of the three compounds and their underlying signaling pathways by network pharmacology. It was found that CD, TQ, and m62A repressed the ADAM17 expression upon different cancer cells remarkably. Moreover, CD inhibited GFP-positive syncytia formation significantly, suggesting its potential against SARS-CoV-2. Pharmacological analysis by constructing CD-, TQ-, and m62A-based drug-target COVID-19 networks further indicated that ADAM17 is a potential target for anti-COVID-19 therapy with these compounds, and the mechanism might be relevant to viral infection and transmembrane receptors-mediated signal transduction. These findings imply that ADAM17 is of potentially medical significance for cancer patients infected with SARS-CoV-2, which provides potential new targets and insights for developing innovative drugs against COVID-19.
Molecular Iodine Capture by Covalent Organic Frameworks
Authors: Yang Yuting , Tu Changzheng , Yin Hongju , Liu Jianjun , Cheng Feixiang , Luo Feng
Published: December 2022

The effective capture and storage of volatile molecular iodine from nuclear waste is of great significance. Covalent organic frameworks (COFs) are a class of extended crystalline porous polymers that possess unique architectures with high surface areas, long-range order, and permanent porosity. Substantial efforts have been devoted to the design and synthesis of COF materials for the capture of radioactive iodine. In this review, we first introduce research techniques for determining the mechanism of iodine capture by COF materials. Then, the influencing factors of iodine capture performance are classified, and the design principles and strategies for constructing COFs with potential for iodine capture are summarized on this basis. Finally, our personal insights on remaining challenges and future trends are outlined, in order to bring more inspiration to this hot topic of research.
Optimization and Preparation of Tallow with a Strong Aroma by Mild Oxidation
Authors: Jin Yanjing , Raza Junaid , Song Huanlu , Wang Lijin , Wang Qiaojun , Ma Guoli , Xiao Yang
Published: December 2022

This study was performed to extract and separate the volatiles with solid-phase microextraction (SPME), and was conducted to analyze volatile odor compounds qualitatively and quantitatively in the production of a strong aroma tallow by mild oxidation. A total of 51 odor compounds were detected in the tallow smelted under different conditions. It was found that the high proportion of aldehydes was an important feature of the aroma components in the oxidized melted tallow, such as 1-hexanal, heptanal, nonanal, octanal, benzaldehyde, etc. Through the determination of various indicators, sensory evaluation, and the gas chromatography-olfaction–mass spectrometry (GC-O–MS) analysis and, in combination with response surface methodology, the optimal process parameters for oxidative smelting of tallow were determined as follows: a reaction temperature of 149.61 °C, a reaction time of 31.68 min, and an airflow rate of 97.44 L/h. The accelerated oxidation test further verified the quality of the oxidized tallow.
Cerium-Doped Iron Oxide Nanorod Arrays for Photoelectrochemical Water Splitting
Authors: Zhao Hai-Peng , Zhu Mei-Ling , Shi Hao-Yan , Zhou Qian-Qian , Chen Rui , Lin Shi-Wei , Tong Mei-Hong , Ji Ming-Hao , Jiang Xia , Liao Chen-Xing , Chen Yan-Xin , Lu Can-Zhong
Published: December 2022

In this work, a simple one-step hydrothermal method was employed to prepare the Ce-doped Fe2O3 ordered nanorod arrays (CFT). The Ce doping successfully narrowed the band gap of Fe2O3, which improved the visible light absorption performance. In addition, with the help of Ce doping, the recombination of electron/hole pairs was significantly inhibited. The external voltage will make the performance of the Ce-doped sample better. Therefore, the Ce-doped Fe2O3 has reached superior photoelectrochemical (PEC) performance with a high photocurrent density of 1.47 mA/cm2 at 1.6 V vs. RHE (Reversible Hydrogen Electrode), which is 7.3 times higher than that of pristine Fe2O3 nanorod arrays (FT). The Hydrogen (H2) production from PEC water splitting of Fe2O3 was highly improved by Ce doping to achieve an evolution rate of 21 μmol/cm2/h.
Pro-Inflammatory Interactions of Dolutegravir with Human Neutrophils in an In Vitro Study
Authors: Theron Annette J. , Anderson Ronald , Madzime Morris , Rossouw Theresa M. , Steel Helen C. , Meyer Pieter W. A. , Cholo Moloko C. , Kwofie Luyanda L. I. , Feldman Charles , Tintinger Gregory R.
Published: December 2022

There is increasing awareness of an association between the uptake of the HIV integrase inhibitor, dolutegravir, in first-line antiretroviral regimens with unusual weight gain and development of the metabolic syndrome, particularly in African women. Although seemingly unexplored, the development of systemic inflammation linked to the putative pro-inflammatory activity of dolutegravir represents a plausible pathophysiological mechanism of this unusual weight gain. This possibility was explored in the current study undertaken to investigate the effects of dolutegravir (2.5–20 μg/mL) on several pro-inflammatory activities of neutrophils isolated from the blood of healthy, adult humans. These activities included the generation of reactive oxygen species (ROS), degranulation (elastase release) and alterations in the concentrations of cytosolic Ca2+ using chemiluminescence, spectrophotometric and fluorimetric procedures, respectively. Exposure of neutrophils to dolutegravir alone resulted in the abrupt, dose-related, and significant (p < 0.0039–p < 0.0022) generation of ROS that was attenuated by the inclusion of the Ca2+-chelating agent, EGTA, or inhibitors of NADPH oxidase (diphenyleneiodonium chloride, DPI), phospholipase C (U733122), myeloperoxidase (sodium azide) and phosphoinositol-3-kinase (wortmannin). In addition, exposure to dolutegravir augmented the release of elastase by stimulus-activated neutrophils. These pro-inflammatory effects of dolutegravir on neutrophils were associated with significant, rapid, and sustained increases in the concentrations of cytosolic Ca2+ that appeared to originate from the extracellular compartment, seemingly consistent with an ionophore-like property of dolutegravir. These findings are preliminary and necessitate verification in the clinical setting of HIV infection. Nevertheless, given the complex link between inflammation and obesity, these pro-inflammatory interactions of dolutegravir with neutrophils may contribute to unexplained weight gain, possibly via the development of insulin resistance.
Mechanisms Involved in the Modification of Textiles by Non-Equilibrium Plasma Treatment
Authors: Primc Gregor , Zaplotnik Rok , Vesel Alenka , Mozetič Miran
Published: December 2022

Plasma methods are often employed for the desired wettability and soaking properties of polymeric textiles, but the exact mechanisms involved in plasma–textile interactions are yet to be discovered. This review presents the fundamentals of plasma penetration into textiles and illustrates mechanisms that lead to the appropriate surface finish of fibers inside the textile. The crucial relations are provided, and the different concepts of low-pressure and atmospheric-pressure discharges useful for the modification of textile’s properties are explained. The atmospheric-pressure plasma sustained in the form of numerous stochastical streamers will penetrate textiles of reasonable porosity, so the reactive species useful for the functionalization of fibers deep inside the textile will be created inside the textile. Low-pressure plasmas sustained at reasonable discharge power will not penetrate into the textile, so the depth of the modified textile is limited by the diffusion of reactive species. Since the charged particles neutralize on the textile surface, the neutral species will functionalize the fibers deep inside the textile when low-pressure plasma is chosen for the treatment of textiles.
Developing Dynamic Audio Navigation UIs to Pinpoint Elements in Tactile Graphics
Authors: Ramôa Gaspar , Schmidt Vincent , König Peter
Published: December 2022

Access to complex graphical information is essential when connecting blind and visually impaired (BVI) people with the world. Tactile graphics readers enable access to graphical data through audio-tactile user interfaces (UIs), but these have yet to mature. A challenging task for blind people is locating specific elements–areas in detailed tactile graphics. To this end, we developed three audio navigation UIs that dynamically guide the user’s hand to a specific position using audio feedback. One is based on submarine sonar sounds, another relies on the target’s coordinate plan x and y-axis, and the last uses direct voice instructions. The UIs were implemented in the Tactonom Reader device, a new tactile graphic reader that enhances swell paper graphics with pinpointed audio explanations. To evaluate the effectiveness of the three different dynamic navigation UIs, we conducted a within-subject usability test that involved 13 BVI participants. Beyond comparing the effectiveness of the different UIs, we observed and recorded the interaction of the visually impaired participants with the different navigation UI to further investigate their behavioral patterns during the interaction. We observed that user interfaces that required the user to move their hand in a straight direction were more likely to provoke frustration and were often perceived as challenging for blind and visually impaired people. The analysis revealed that the voice-based navigation UI guides the participant the fastest to the target and does not require prior training. This suggests that a voice-based navigation strategy is a promising approach for designing an accessible user interface for the blind.
Recent Advances in the Biomedical Applications of Functionalized Nanogels
Authors: Narayanan Kannan , Bhaskar Rakesh , Han Sung
Published: December 2022

Nanomaterials have been extensively used in several applications in the past few decades related to biomedicine and healthcare. Among them, nanogels (NGs) have emerged as an important nanoplatform with the properties of both hydrogels and nanoparticles for the controlled/sustained delivery of chemo drugs, nucleic acids, or other bioactive molecules for therapeutic or diagnostic purposes. In the recent past, significant research efforts have been invested in synthesizing NGs through various synthetic methodologies such as free radical polymerization, reversible addition-fragmentation chain-transfer method (RAFT) and atom transfer radical polymerization (ATRP), as well as emulsion techniques. With further polymeric functionalizations using activated esters, thiol–ene/yne processes, imines/oximes formation, cycloadditions, nucleophilic addition reactions of isocyanates, ring-opening, and multicomponent reactions were used to obtain functionalized NGs for targeted delivery of drug and other compounds. NGs are particularly intriguing for use in the areas of diagnosis, analytics, and biomedicine due to their nanodimensionality, material characteristics, physiological stability, tunable multi-functionality, and biocompatibility. Numerous NGs with a wide range of functionalities and various external/internal stimuli-responsive modalities have been possible with novel synthetic reliable methodologies. Such continuous development of innovative, intelligent materials with novel characteristics is crucial for nanomedicine for next-generation biomedical applications. This paper reviews the synthesis and various functionalization strategies of NGs with a focus on the recent advances in different biomedical applications of these surface modified/functionalized single-/dual-/multi-responsive NGs, with various active targeting moieties, in the fields of cancer theranostics, immunotherapy, antimicrobial/antiviral, antigen presentation for the vaccine, sensing, wound healing, thrombolysis, tissue engineering, and regenerative medicine.
Pharmacogenetic Dose Modeling Based on CYP2C19 Allelic Phenotypes
Authors: Stingl Julia Carolin , Radermacher Jason , Wozniak Justyna , Viviani Roberto
Published: December 2022

Pharmacogenetic variability in drug metabolism leads to patient vulnerability to side effects and to therapeutic failure. Our purpose was to introduce a systematic statistical methodology to estimate quantitative dose adjustments based on pharmacokinetic differences in pharmacogenetic subgroups, addressing the concerns of sparse data, incomplete information on phenotypic groups, and heterogeneity of study design. Data on psychotropic drugs metabolized by the cytochrome P450 enzyme CYP2C19 were used as a case study. CYP2C19 activity scores were estimated, while statistically assessing the influence of methodological differences between studies, and used to estimate dose adjustments in genotypic groups. Modeling effects of activity scores in each substance as a population led to prudential predictions of adjustments when few data were available (‘shrinkage’). The best results were obtained with the regularized horseshoe, an innovative Bayesian approach to estimate coefficients viewed as a sample from two populations. This approach was compared to modeling the population of substance as normally distributed, to a more traditional “fixed effects” approach, and to dose adjustments based on weighted means, as in current practice. Modeling strategies were able to assess the influence of study parameters and deliver adjustment levels when necessary, extrapolated to all phenotype groups, as well as their level of uncertainty. In addition, the horseshoe reacted sensitively to small study sizes, and provided conservative estimates of required adjustments.
Bioresorbable Nonwoven Patches as Taxane Delivery Systems for Prostate Cancer Treatment
Authors: Jaworska Joanna , Orchel Arkadiusz , Kaps Anna , Jaworska-Kik Marzena , Hercog Anna , Stojko Mateusz , Włodarczyk Jakub , Musiał-Kulik Monika , Pastusiak Małgorzata , Bochenek Marcelina , Godzierz Marcin , Kasperczyk Janusz
Published: December 2022

Prostate cancer is the second most common cancer in males. In the case of locally advanced prostate cancer radical prostatectomy is one of the first-line therapy. However, recurrence after resection of the tumor can appear. Drug-eluting bioresorbable implants acting locally in the area of the tumor or the resection margins, that reduce the risk of recurrence would be advantageous. Electrospinning offers many benefits in terms of local delivery so fiber-forming polyesters and polyestercarbonates which are suitable to be drug-loaded were used in the study to obtain CTX or DTX-loaded electrospun patches for local delivery. After a fast verification step, patches based on the blend of poly(glycolide-ε-caprolactone) and poly(lactide-glycolide) as well as patches obtained with poly(lactide-glycolide- ε-caprolactone) were chosen for long-term study. After three months, 60% of the drug was released from (PGCL/PLGA) + CTX and it was selected for final, anticancer activity analysis with the use of PC-3 and DU145 cells to establish its therapeutic potential. CTX-loaded patches reduced cell growth to 53% and 31% respectively, as compared to drug-free patches. Extracts from drug-free patches showed excellent biocompatibility with the PC-3 cell line. Cabazitaxel-loaded bioresorbable patches are a promising drug delivery system for prostate cancer therapy.