bluuebunny/crossref_metadata_2025 huggingface dataset:
Retrograde Free Venous Flaps for Extremity Reconstruction: A Roadmap
Authors: Giesen Thomas , Politikou Olga , Tami Ivan , Calcagni Maurizio
Published: August 2022

Background and Objectives: Retrograde free venous flaps represent a separate entity among free venous flaps: their physiology is still unclear, but they provide an immediate visible refill after reconnection, with a similar behaviour to conventional flaps. Therefore, the dimensions and the indications of these flaps can be extended beyond what was previously believed, and they can be easily customized, including with respect to tendons and nerves. Nevertheless, they are still debated and regarded as unsafe. Materials and Methods: From 2012 to 2019, we performed 31 retrograde free venous flaps on 31 patients to reconstruct hands, digits, and in one case the heel. All the flaps were arterialized in a retrograde manner; the donor site was the forearm in 28 cases, the foot in 2 cases, and the calf in 1 case. We recorded the size, vein architecture, donor site, donor artery, donor morbidity, function for composite and non-composite flaps, immediate complications, late complications, survival rate, and the number of revisions. We recorded the hand function when appropriate. A total of 10 flaps were also intraoperatively studied with indocyanine green to monitor their hemodynamical behaviour. Results: All the patients were followed for an average of 8 months (6–15). The flap dimensions ranged from 6 cm2 to 136 cm2. All the flaps, except two that had complete necrosis, survived. Two flaps had partial necrosis. There was no correlation between necrosis and the size of the flap, with one case of necrosis and one of partial necrosis in the small flaps (<10 cm2). None of the cases with partial necrosis needed a new flap. Two flaps developed a late arterio-venous shunt that was ligated. Conclusions: The retrograde free venous flaps proved to be a useful tool for complex reconstructions of the hand and extremities. They can provide a large island of pliable skin and composite tissue with tendons and nerves, but surgeons must be aware of some caveats.
Low-Temperature Deformation Mechanism and Strain-Hardening Behaviour of Laser Welded Dual-Phase Steels
Authors: Aderibigbe Isiaka , Popoola Patricia , Sadiku Emmanuel , Biro Elliot
Published: August 2022

This paper analysed the change in microstructure after laser welding DP800 and DP1000, the effect of the laser welds on low temperatures deformation, and strain hardening behaviour when loaded at temperatures between −40 °C and 20 °C using quasi-static strain rates (1.7 × 10−2 s−1). The results showed that the fusion zone (FZ) was fully martensitic due to the rapid cooling during welding. Owing to the severity of the heat-affected zone, the joint efficiencies of DP800-DP800 and DP1000-DP1000 welds were 99.0% and 88.7%, respectively. The UTS, YS, and work hardening exponents of the welded joints increased slightly, while the strain hardening capacity of the base metals was much higher than those of the welded joints with decreasing temperatures. The evaluated work hardening exponents of the welded joints were determined using the Hollomon equation, Afrin equation, and Crussard-Jaoul analysis are in the range of 0.2–0.47, 0.24–0.59, and 0.45–0.71, respectively. The welded joints and the base metals demonstrated only stage III strain hardening, with DP800 joints exhibited excellent uniform and total elongation ranging between 8.0–8.7% and 10.4–14.2%, respectively. Fractures were located in the base metal of welded DP800 and SCHAZ of DP1000 welds, respectfully. The fracture surfaces demonstrated characteristic dimple fractures. The uniqueness of this study is found in its design, as there is currently no known literature on the low-temperature deformation mechanism and strain-hardening behaviour of similar DP800 and DP1000 welds.
Optimization of the Weld Pool Boundary Calculated by the LSTM-Based Measurement Method in GTAW
Authors: Liu Jinping , Wu Shaojie , Feng Yingchao , Pan Guowei , Chen Peng , Yang Xiaodong , Yan Cancan
Published: August 2022

The shape of the weld pool surface contains a lot of important features to reflect the quality of the weld. However, it is difficult to obtain the weld pool boundary precisely. In this paper, a boundary extension method is designed first to optimize the boundary profile of the interpolated weld pool surface calculated by the long-short-term memory (LSTM)-based measurement method. Experimental results show that after boundary extension, the errors of the left and right part of the boundary of the weld pool are slightly improved. The weld width error in the X direction is reduced to 2.43%, and the weld width error in the Y direction is slightly increased to 8.68%. Then the robustness of the LSTM-based model is analyzed by studying the phenomena of missing points and more points. To solve the problem caused by the missing/adding the first few imaging points, a forward-reverse united reconstruction optimization method is then designed. After optimization by forward-reverse united reconstruction optimization method, the boundary error of the reconstructed weld pool surface is obviously reduced. The weld width error is reduced to 1.62% in the X direction and 3.94% in the Y direction.
Source and Transformation of MgO-Based Inclusions in Si-Mn-Killed Steel with Lime-Silicate Slag
Authors: Zhao Jiaqi , Chu Jianhua , Liu Xin , Wang Min , Cai Xiaofeng , Ma Han , Bao Yanping
Published: August 2022

The origin, evolution, and formation mechanism of MgO-based inclusions in Si-Mn-killed steel were studied in industrial trials with systematical samplings of the refining ladle, casting tundish, and as-cast bloom. In the present study, there were large numbers of MgO-based non-metallic inclusions, which started to form in the LF final process, and the MgO content in the lime-silicate slag increases from LF to VD process. The reason for the formation of MgO-based inclusions in refining process was analyzed using FactSage8.1 software. It was found that MgO-based inclusions were caused by the violent reaction between the slag and steel and the serious erosion of MgO-C refractory. The MgO solubility decreased in the lime-silicate slag and precipitated the periclase phase with basicity increasing. The solubility of MgO increased with an increase in the temperature. Measures were taken to optimize the refining process based on the above result. By increasing the slag basicity and increasing the content of MgO in the slag, erosion of the MgO-C refractory was reduced and the number of MgO-based non-metallic inclusions decreased from 0.2 to 0.04 per square millimeter.
Properties of AlFeNiCrCoTi0.5 High-Entropy Alloy Particle-Reinforced 6061Al Composites Prepared by Extrusion
Authors: Huan Changbao , He Yiqiang , Su Qianhang , Zuo Lijie , Ren Changxu , Xu Hulin , Dong Kai , Liu Yan
Published: August 2022

(AlFeNiCrCoTi0.5)p/6061Al matrix composites were prepared by cold isostatic pressing combined with equal-diameter angular extrusion. The microstructure and properties of the extruded materials after adding high-entropy alloys were studied. The FCC + BCC dual-phase high-entropy alloy particles mechanically alloyed for 90 h were added to the aluminum matrix, while the composite material formed a diffusion interface after equal-diameter angular extrusion. Compared with the 6061Al matrix, when the content of AlFeNiCrCoTi0.5 was 10%, by two passes, the hardness increased from 52.5 HV to 70.3 HV, the tensile strength increased from 158 MPa to 188 MPa, and the elongation changed from 14.9% to 14.1%. The material had good comprehensive mechanical properties.
Consortium of Indigenous Fecal Bacteria in the Treatment of Metabolic Syndrome
Authors: Ermolenko Elena , Kotyleva Marina , Kotrova Anna , Tichonov Sergey , Lavrenova Nadezhda , Voropaeva Lyubov , Topalova Yulia , Karaseva Alena , Azarov Daniil , Ermolenko Konstantin , Druzhininskii Dmitrii , Dmitriev Alexander , Shishkin Alexander , Suvorov Alexander
Published: August 2022

The features of gut microbiota in metabolic syndrome (MS) and ways to correct it using autoprobiotics, based on indigenous bacteria obtained from fecal samples of the host, remain unexplored. The aim of the study was to investigate the effectiveness of an indigenous consortium (IC) of fecal bacteria in treatment of patients with MS. The study was carried out on 36 patients with MS, manifested with abdominal obesity, eating disorders, dyslipidemia, and hypertension. The control group was formed by 20 healthy volunteers. Samples of IC and gut microbiota content were examined by qPCR and metagenome (16S rRNA) analysis before and after therapy. The decrease in anthropometric parameters of obesity, liver enzyme level correction, reduction in C reactive protein and triglyceride concentrations were revealed after IC usage. The decrease in genera Bifidobacterium, Enterobacter, Paraprevotella, and Prevotella, as well as an increase in Bacteroides fragilis and Oscillospira spp. populations were shown after consumption of IC. A negative correlation between the quantity of B. fragilis and the anthropometric parameters of obesity (r = −0.48) and C reactive protein level (r = −0.36) in serum was established. Thus, IC can be considered as a potential functional personified product for the therapy of MS.
Toxoplasma gondii Serotypes in Italian and Foreign Populations: A Cross-Sectional Study Using a Homemade ELISA Test
Authors: Caldrer Sara , Vola Ambra , Ferrari Guglielmo , Ursini Tamara , Mazzi Cristina , Meroni Valeria , Beltrame Anna
Published: August 2022

Toxoplasma gondii is a protozoan parasite responsible for human toxoplasmosis. The three major clonal lineages and different recombinant strains of T. gondii have a varied global distribution. This study aimed at evaluating the epidemiological distribution of types II and I–III and recombinant or mixed T. gondii in Italians and foreigners residing in Italy, establishing an association between serotypes and demographic characteristics. We collected the sera of 188 subjects who had tested positive for specific T. gondii antibodies. The population was differentiated into groups based on sex, nationality, and place of birth (Italy, Africa, South America, Asia, or Europe (except Italy)). We then performed a homemade ELISA test that detected both the antibodies against the amino acid sequences of the three main genotype antigens (I–III) in human sera and discerned the T. gondii strains. Serotype II of T. gondii was the most prevalent in the Italian population, whereas type I–III was the most prevalent in the foreign group. Surprisingly, we observed a notable amount of recombinant or mixed serotypes in European and Italian subjects. Moreover, we showed a significant difference in the prevalence of T. gondii serotypes between men and women, Italians, and foreigners. This descriptive study is the first to investigate the epidemiological distribution of T. gondii serotypes in humans in Italy using a homemade ELISA. We considered this technique suitable for discriminating between serotypes II and I–III and, consequently, for an epidemiological study focusing on the observation of circulating T. gondii strains and clinical correlations.
Virulence Factors and Antibiotic Resistance of Enterobacterales
Authors: Bujňáková Dobroslava , Puvača Nikola , Ćirković Ivana
Published: August 2022

In the class Gammaproteobacteria, Enterobacterales are Gram-negative, facultatively anaerobic bacteria [...]
Bioactive Antimicrobial Peptides: A New Weapon to Counteract Zoonosis
Authors: Zupin Luisa , Santos-Silva Carlos André dos , Al Mughrbi Aya R. Hamad , Vilela Livia Maria Batista , Benko-Iseppon Ana Maria , Crovella Sergio
Published: August 2022

Zoonoses have recently become the center of attention of the general population and scientific community. Notably, more than 30 new human pathogens have been identified in the last 30 years, 75% of which can be classified as zoonosis. The complete eradication of such types of infections is far out of reach, considering the limited understanding of animal determinants in zoonoses and their causes of emergence. Therefore, efforts must be doubled in examining the spread, persistence, and pathogenicity of zoonosis and studying possible clinical interventions and antimicrobial drug development. The search for antimicrobial bioactive compounds has assumed great emphasis, considering the emergence of multi-drug-resistant microorganisms. Among the biomolecules of emerging scientific interest are antimicrobial peptides (AMPs), potent biomolecules that can potentially act as important weapons against infectious diseases. Moreover, synthetic AMPs are easily tailored (bioinformatically) to target specific features of the pathogens to hijack, inducing no or very low resistance. Although very promising, previous studies on SAMPs’ efficacy are still at their early stages. Indeed, further studies and better characterization on their mechanism of action with in vitro and in vivo assays are needed so as to proceed to their clinical application on human beings.
Orebody Modeling Method Based on the Coons Surface Interpolation
Authors: Wu Zhaohao , Bi Lin , Zhong Deyun , Zhang Ju , Tang Qiwang , Jia Mingtao
Published: August 2022

This paper presents a surface modeling method for interpolating orebody models based on a set of cross-contour polylines (geological polylines interpreted from the raw geological sampling data) using the bi-Coons surface interpolation method. The method is particularly applicable to geological data with cross-contour polylines acquired during the geological and exploration processes. The innovation of this paper is that the proposed method can automatically divide the closed loops and automatically combine the sub-meshes. The method solves the problem that it is difficult to divide closed loops from the cross-contour polylines with complex shapes, and it greatly improves the efficiency of modeling based on complex cross-contour polylines. It consists of three stages: (1) Divide closed loops using approximate planes of contour polylines; each loop is viewed as a polygon combined with several polylines, that is the n-sided region. (2) After processing the formed n-sided regions, Coons surface interpolation is improved to complete the modeling of every single loop (3) Combine all sub-meshes to form a complete orebody model. The corresponding algorithm was implemented using the C++ programing language on 3D modeling software. Experimental results show that the proposed orebody modeling method is useful for efficiently recovering complex orebody models from a set of cross-contour polylines.
An Investigation of Thermal Effects on Micro-Properties of Sudbury Norite by CT Scanning and Image Processing Method
Authors: Wang Sheng-Lin , Simser Brad , Yin Shunde , Huyan Ju
Published: August 2022

Rock is constantly subjected to stress and thermal conditions. Thermal-induced micro-cracks will be generated as a result of different thermal expansion gradations between different minerals. This characteristic was investigated in this paper by studying the micro-properties of Sudbury norite via CT scanning and the image processing method. A novel filtering method, maximum–minimum shadow filtering (MMSF), was developed in this study to highlight the thermal-induced micro-cracks in Sudbury Igneous Complex (SIC) norite after different temperature treatments. Based on quantitative analysis, the areal percentages of biotite, felspar, quartz, and small amounts of metal minerals were determined. It was also found that small-scale micro-cracks were first observed in the middle of biotite grains at a temperature of 400 °C. The cracks further propagated and extended with the temperature increase. In addition, the orientations of cracks either remained at the same distribution or became more evenly distributed with the rising temperature. A linear relationship was found between the average porosity of SIC norite and the temperature. Moreover, the anisotropic properties between vertical and horizontal directions of norite were also noticeable. Overall, the paper presented a quantitative study on the effects of thermal treatment and the anisotropic properties of SIC norite. Methodology and findings from this paper will be a significant reference for future studies regarding the thermal impacts on norite and similar rocks.
Pectinases Secretion by Saccharomyces cerevisiae: Optimization in Solid-State Fermentation and Identification by a Shotgun Proteomics Approach
Authors: Takeyama Matheus Mikio , de Carvalho Márcia Corrêa , Carvalho Helena Sacco , Silva Cristiane Rodrigues , Uetanabaro Ana Paula Trovatti , da Costa Andrea Miura , Evaristo Joseph A. Medeiros , Nogueira Fábio César Sousa , Fai Ana Elizabeth Cavalcante , Koblitz Maria Gabriela Bello
Published: August 2022

A sequential design strategy was applied to optimize the secretion of pectinases by a Saccharomyces cerevisiae strain, from Brazilian sugarcane liquor vat, on passion fruit residue flour (PFRF), through solid-state fermentation (SSF). A factorial design was performed to determine the influence variables and two rotational central composite designs were executed. The validated experimental result was of 7.1 U mL−1 using 50% PFRF (w/w), pH 5, 30 °C for 24 h, under static SSF. Polygalacturonase, pectin methyl esterase, pectin–lyase and pectate–lyase activities were 3.5; 0.08; 3.1 and 0.8 U mL−1, respectively. Shotgun proteomics analysis of the crude extract enabled the identification of two pectin–lyases, one pectate–lyase and a glucosidase. The crude enzymatic extract maintained at least 80% of its original activity at pH values and temperatures ranging from 2 to 8 and 30 to 80 °C, respectively, over 60 min incubation. Results revealed that PFRF might be a cost-effective and eco-friendly substrate to produce pectinases. Statistical optimization led to fermentation conditions wherein pectin active proteins predominated. To the extent of our knowledge, this is the first study reporting the synthesis of pectate lyase by S. cerevisiae.
Influence of an Edible Oil–Medium-Chain Triglyceride Blend on the Physicochemical Properties of Low-Fat Mayonnaise
Authors: Hsu Heng-I , Lee Tan-Ang , Wang Ming-Fu , Li Po-Hsien , Ho Jou-Hsuan
Published: August 2022

Mayonnaise is a semisolid oil-in-water emulsion comprised of egg yolk, oil, and vinegar. One main problem with mayonnaise is its high fat content, so efforts have been made to develop low-fat sauces with similar characteristics to real mayonnaise. The purpose of this study was to evaluate the effect of medium-chain triglycerides (MCTs) blended with edible oil (soybean and olive oil) on the rheological, physicochemical, and sensory properties of low-fat mayonnaise. The results revealed that the shear viscosity decreased with the increase in medium-chain fatty acid (MCFA) contents and decreased with an increasing shear rate. Tan δ was <1, and a semisolid fluid with shear-thinning behavior was formed. The oscillation frequency test showed that the MCFA-containing mayonnaise was viscoelastic. The particle size and oil droplet analyses revealed that the emulsion droplet size and distribution were not significantly different in the MCT group compared to the control. The sensory evaluation demonstrated that the MCFA-containing mayonnaise was acceptable. This study illustrates that MCTs are a good substitute to produce the proper physicochemical properties of mayonnaise.
The Genus Cetraria s. str.—A Review of Its Botany, Phytochemistry, Traditional Uses and Pharmacology
Authors: Sánchez Marta , Ureña-Vacas Isabel , González-Burgos Elena , Divakar Pradeep Kumar , Gómez-Serranillos Maria Pilar
Published: August 2022

The genus Cetraria s. str. (Parmeliaceae family, Cetrarioid clade) consists of 15 species of mostly erect brown or greenish yellow fruticose or subfoliose thallus. These Cetraria species have a cosmopolitan distribution, being primarily located in the Northern Hemisphere, in North America and in the Eurasia area. Phytochemical analysis has demonstrated the presence of dibenzofuran derivatives (usnic acid), depsidones (fumarprotocetraric and protocetraric acids) and fatty acids (lichesterinic and protolichesterinic acids). The species of Cetraria, and more particularly Cetraria islandica, has been widely employed in folk medicine for the treatment of digestive and respiratory diseases as decoctions, tinctures, aqueous extract, and infusions. Moreover, Cetraria islandica has had an important nutritional and cosmetic value. These traditional uses have been validated in in vitro and in vivo pharmacological studies. Additionally, new therapeutic activities are being investigated, such as antioxidant, immunomodulatory, cytotoxic, genotoxic and antigenotoxic. Among all Cetraria species, the most investigated by far has been Cetraria islandica, followed by Cetraria pinastri and Cetraria aculeata. The aim of the current review is to update all the knowledge about the genus Cetraria covering aspects that include taxonomy and phylogeny, morphology and distribution, ecological and environmental interest, phytochemistry, traditional uses and pharmacological properties.
A Tail Does Not Always Make a Difference: Assembly of cds Nets from Co(NCS)2 and 1,4-bis(n-Alkyloxy)-2,5-bis(3,2′:6′,3″-terpyridin-4′-yl)benzene Ligands
Authors: Capomolla Simona S. , Manfroni Giacomo , Prescimone Alessandro , Constable Edwin C. , Housecroft Catherine E.
Published: August 2022

The consistent assembly of a (65.8) cds net is observed in reactions of cobalt(II) thiocyanate with 1,4-bis(n-alkyloxy)-2,5-bis(3,2′:6′,3″-terpyridin-4′-yl)benzene ligands in which the n-alkyloxy substituents are n-propyl (ligand 3), n-butyl (4), n-pentyl (5), n-hexyl (6), n-heptyl (7), and n-octyl (8). Crystals were grown by layering a methanol solution of Co(NCS)2 over a 1,2-dichlorobenzene solution of each ligand. The choice of crystallization solvents is critical in directing the assembly of the cds net. Single-crystal structures of [Co(NCS)2(3)]n.3.5nC6H4Cl2, [Co(NCS)2(4)]n.5.5nC6H4Cl2, [Co(NCS)2(5)]n.4nC6H4Cl2, [Co(NCS)2(6)]n.3.8nC6H4Cl2, [Co(NCS)2(7)]n.3.1nC6H4Cl2, and [Co(NCS)2(8)]n.1.6nC6H4Cl2.2nMeOH (C6H4Cl2 = 1,2-dichlorobenzene) are presented and compared. The n-alkyloxy chains exhibit close to extended conformations and are accommodated in cavities in the lattice without perturbation of the coordination framework.
An Exploration of the Effect of the Kleier Model and Carrier-Mediated Theory to Design Phloem-Mobile Pesticides Based on Researching the N-Alkylated Derivatives of Phenazine-1-Carboxylic Acid-Glycine
Authors: Cai Jinlong , Xiong Yongtong , Zhu Xiang , Hu Jinyu , Wang Yunping , Li Junkai , Wu Jianfeng , Wu Qinglai
Published: August 2022

The Kleier model and Carrier-mediated theory are effective for molecularly designing pesticides with phloem mobility. However, the single Kleier model or Carrier-mediated theory cannot achieve a reliable explanation of the phloem mobility of all exogenous substances. A detailed investigation of the two models and the scope of their applications can provide a more accurate and highly efficient basis for the guidance of the design and development of phloem-mobile pesticides. In the present paper, a strategy using active ingredient-amino acid conjugates as mode compounds is developed based on Carrier-mediated theory. An N-alkylated amino acid is used to improve the pesticide’s physicochemical properties following the Kleier model, thus allowing the conjugates to fall on the predicted and more accessible transportation region of phloem. Moreover, the influence of this movement on phloem is inspected by the Kleier model and Carrier-mediated theory. To verify this strategy, a series of N-alkylated phenazine-1-carboxylic acid-glycine compounds (PCA-Gly) were designed and synthesized. The results related to the castor bean seeds (R. communis L.) indicated that all the target compounds (4a–4f) had phloem mobility. The capacity for phloem mobility shows that N-alkylated glycine containing small substituents can significantly improve PCA phloem mobility, such as 4c(i-C3H7-N) > 4a(CH3-N) ≈ 4b(C2H5-N) > 4d (t-C4H9-N) > PCA-Gly > 4e(C6H5-N) > 4f(CH2COOH-N), with an oil–water partition coefficient between 1.2~2.5. In particular, compounds 4a(CH3-N), 4b(C2H5-N), and 4c(i-C3H7-N) present better phloem mobility, with the average concentrations in phloem sap of 14.62 μΜ, 13.98 μΜ, and 17.63 μΜ in the first 5 h, which are 8 to 10 times higher than PCA-Gly (1.71 μΜ). The results reveal that the Kleier model and Carrier-mediated theory play a guiding role in the design of phloem-mobile pesticides. However, the single Kleier model or Carrier-mediated theory are not entirely accurate. Still, there is a synergism between Carrier-mediated theory and the Kleier model for promoting the phloem transport of exogenous compounds. Therefore, we suggest the introduction of endogenous plant compounds as a promoiety to improve the phloem mobility of pesticides through Carrier-mediated theory. It is necessary to consider the improvement of physicochemical properties according to the Kleier model, which can contribute to a scientific theory for developing phloem-mobile pesticides.
Evaluating the Properties of Ginger Protease-Degraded Collagen Hydrolysate and Identifying the Cleavage Site of Ginger Protease by Using an Integrated Strategy and LC-MS Technology
Authors: Liu Wei , Yang Wenning , Li Xueyan , Qi Dongying , Chen Hongjiao , Liu Huining , Yu Shuang , Wang Guopeng , Liu Yang
Published: August 2022

(1) Methods: An integrated strategy, including in vitro study (degree of hydrolysis (DH) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity) and in vivo study (absorption after oral administration in rats), was developed to evaluate the properties of the fish skin gelatin hydrolysates prepared using different proteases (pepsin, alkaline protease, bromelain, and ginger protease). Meanwhile, in order to identify the hydrolysis site of ginger protease, the peptides in the ginger protease-degraded collagen hydrolysate (GDCH) were comprehensively characterized by liquid chromatography/tandem mass spectrometry (LC-MS) method. (2) Results: The GDCH exhibited the highest DH (20.37%) and DPPH radical scavenging activity (77.73%), and in vivo experiments showed that the GDCH was more efficiently absorbed by the gastrointestinal tract. Further oral administration experiments revealed that GDCH was not entirely degraded to free amino acids and can be partially absorbed as dipeptides and tripeptides in intact forms, including Pro-Hyp, Gly-Pro-Hyp, and X-Hyp-Gly tripeptides. LC-MS results determined the unique substrate specificity of ginger protease recognizing Pro and Hyp at the P2 position based on the amino acids at the P2 position from the three types of tripeptides (Gly-Pro-Y, X-Hyp-Gly, and Z-Pro-Gly) and 136 identified peptides (>4 amino acids). Interestingly, it suggested that ginger protease can also recognize Ala in the P2 position. (3) Conclusions: This study comprehensively evaluated the properties of GDCH by combining in vitro and in vivo strategies, and is the first to identify the cleavage site of ginger protease by LC-MS technique. It provides support for the follow-up study on the commercial applications of ginger protease and bioactivities of the hydrolysate produced by ginger protease.
Three New Acrylic Acid Derivatives from Achillea mellifolium as Potential Inhibitors of Urease from Jack Bean and α-Glucosidase from Saccharomyces cerevisiae
Authors: Farooq Umar , Khan Sara , Naz Sadia , Wani Tanveer A. , Bukhari Syed Majid , Aborode Abullahi Tunde , Shahzad Sohail Anjum , Zargar Seema
Published: August 2022

(1) Background: Achillea mellifolium belongs to a highly reputed family of medicinal plants, with plant extract being used as medicine in indigenous system. However, limited data is available regarding the exploitation of the medicinal potential of isolated pure compounds from this family; (2) Methods: A whole plant extract was partitioned into fractions and on the basis of biological activity, an ethyl acetate fraction was selected for isolation of pure compounds. Isolated compounds were characterized using different spectroscopic techniques. The compounds isolated from this study were tested for their medicinal potential using in-vitro enzyme assay, coupled with in-silico studies; (3) Results: Three new acrylic acid derivatives (1–3) have been isolated from the ethyl acetate fraction of Achillea mellifolium. The characterization of these compounds (1–3) was carried out using UV/Vis, FT-IR, 1D and 2D-NMR spectroscopy (1H-NMR, 13C-NMR, HMBC, NOESY) and mass spectrometry. These acrylic acid derivatives were further evaluated for their enzyme inhibition potential against urease from jack bean and α glucosidase from Saccharomyces cerevisiae, using both in-silico and in-vitro approaches. In-vitro studies showed that compound 3 has the highest inhibition against urease enzyme (IC50 =10.46 ± 0.03 μΜ), followed by compound 1 and compound 2 with percent inhibition and IC50 value of 16.87 ± 0.02 c and 13.71 ± 0.07 μΜ, respectively, compared to the standard (thiourea-IC50 = 21.5 ± 0.01 μΜ). The investigated IC50 value of compound 3 against the urease enzyme is two times lower compared to thiourea, suggesting that this compound is twice as active compared to the standard drug. On the other hand, all three compounds (1–3) revealed mild inhibition potential against α-glucosidase. In-silico molecular docking studies, in combination with MD simulations and free energy, calculations were also performed to rationalize their time evolved mode of interaction inside the active pocket. Binding energies were computed using a MMPBSA approach, and the role of individual residues to overall binding of the inhibitors inside the active pockets were also computed; (4) Conclusions: Together, these studies confirm the inhibitory potential of isolated acrylic acid derivatives against both urease and α-glucosidase enzymes; however, their inhibition potential is better for urease enzyme even when compared to the standard.
Dynamic Processes of Rhenium Polyhydride Complexes
Authors: Naik Datta V. , Moehring Gregory A.
Published: August 2022

Studies have demonstrated that high-coordination-number rhenium polyhydride complexes are precursors to catalysts that transform a variety of organic molecules. While rhenium polyhydride complexes lead to active catalysts, little has been reported on the mechanisms for the transformations. High-coordination-number rhenium polyhydride complexes exhibit several dynamic processes that make characterizations of the chemical properties for individual atoms difficult, at best, for room-temperature solutions. This review describes what is known of the dynamic processes that occur at high-coordination-number rhenium polyhydride complexes and how that knowledge may lead to the design of catalytic precursors in which the chemical properties of individual atoms can be more readily identified in room-temperature solutions.
Analysis of VOCs in Urine Samples Directed towards of Bladder Cancer Detection
Authors: Ligor Tomasz , Adamczyk Przemysław , Kowalkowski Tomasz , Ratiu Ileana Andreea , Wenda-Piesik Anna , Buszewski Bogusław
Published: August 2022

Bladder cancer is one of most common types of cancer diagnosed in the genitourinary tract. Typical tests are costly and characterized by low sensitivity, which contributes to a growing interest in volatile biomarkers. Head space solid phase microextraction (SPME) was applied for the extraction of volatile organic compounds from urine samples, and gas chromatography time of flight mass spectrometry (GC×GC TOF MS) was used for the separation and detection of urinary volatiles. A cohort of 40 adult patients with bladder cancer and 57 healthy persons was recruited. Different VOC profiles were obtained for urine samples taken from each group. Twelvecompounds were found only in the samples from theBC group.The proposed candidate biomarkers are butyrolactone; 2-methoxyphenol; 3-methoxy-5-methylphenol; 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-2-buten-1-one; nootkatone and 1-(2,6,6-trimethyl-1-cyclohexenyl)-2-buten-1-one.Since most of the studies published in the field are proving the potential of VOCs detected in urine samples for the screening and discrimination of patients with bladder cancer from healthy, but rarely presenting the identity of proposed biomarkers, our study represents a novel approach.
Lipase-Catalyzed Synthesis, Antioxidant Activity, Antimicrobial Properties and Molecular Docking Studies of Butyl Dihydrocaffeate
Authors: Zieniuk Bartłomiej , Ononamadu Chimaobi James , Jasińska Karina , Wierzchowska Katarzyna , Fabiszewska Agata
Published: August 2022

Green chemistry approaches, such as lipase-catalyzed esterification, are promising methods for obtaining valuable chemical compounds. In the case of the use of lipases, unlike in aqueous environments, the processes of the ester bond formations are encountered in organic solvents. The aim of the current research was to carry out the lipase-catalyzed synthesis of an ester of dihydrocaffeic acid. The synthesized compound was then evaluated for antioxidant and antimicrobial activities. However, the vast majority of its antioxidant activity was retained, which was demonstrated by means of DPPH· (2,2-diphenyl-1-picrylhydrazyl) and CUPRAC (cupric ion reducing antioxidant capacity) methods. Regarding its antimicrobial properties, the antifungal activity against Rhizopus oryzae is worth mentioning. The minimum inhibitory and fungicidal concentrations were 1 and 2 mM, respectively. The high antifungal activity prompted the use of molecular docking studies to verify potential protein targets for butyl ester of dihydrocaffeic ester. In the case of one fungal protein, namely 14-α sterol demethylase B, it was observed that the ester had comparable binding energy to the triazole medication, isavuconazole, but the interacted amino acid residues were different.
Identification of Novel 4′-O-Demethyl-epipodophyllotoxin Derivatives as Antitumor Agents Targeting Topoisomerase II
Authors: Xi Wenli , Sun Hua , Bastow Kenneth F. , Xiao Zhiyan , Lee Kuo-Hsiung
Published: August 2022

C4 variation of 4′-O-demethyl-epipodophyllotoxin (DMEP) is an effective approach to optimize the antitumor spectra of this compound class. Accordingly, two series of novel DMEP derivatives were synthesized, and as expected, the antitumor spectra of these derivatives varied with different C4 substituents. Notably, most compounds showed significant inhibition against the etoposide (2)-resistant KBvin cells. Four of the compounds (11, 18, 27 and 28) induced protein-linked DNA break (PLDB) levels higher than those of GL-331 (6) and 2, and are assumed to be topoisomerase II (topo II) poisons more potent than 6 and 2. Compound 28, a potent topo II poison highly effective against KBvin cells, was further evaluated with a panel of tumor cells and was most active against HepG2. This compound also exhibited apparent in vivo antitumor efficacy in hepatoma 22 (H22) mouse model. The results indicated that C4 derivation of DMEP is a feasible approach to identify potent topo II inhibitors with optimized antitumor profiles.
Targeting Glutaminase by Natural Compounds: Structure-Based Virtual Screening and Molecular Dynamics Simulation Approach to Suppress Cancer Progression
Authors: Tabrez Shams , Zughaibi Torki A. , Hoque Mehboob , Suhail Mohd , Khan Mohammad Imran , Khan Azhar U.
Published: August 2022

Cancer cells change their glucose and glutamine (GLU) metabolism to obtain the energy required to continue growing. Glutaminase (GLS) plays a crucial role in promoting cell metabolism for cancer cell growth; targeting GLU metabolism by inhibiting GLS has attracted interest as a potential cancer management strategy. Herein, we employed a sequential screening of traditional Chinese medicine (TCM) database followed by drug-likeness and molecular dynamics simulations against the active site of GLS. We report 12 potent compounds after screening the TCM database against GLS, followed by a drug-likeness filter with Lipinski and Veber rule criteria. Among them, ZINC03978829 and ZINC32296657 were found to have higher binding energy (BE) values than the control compound 6-Diazo-5-Oxo-L-Norleucine, with BEs of −9.3 and −9.7 kcal/mol, respectively, compared to the BE of 6-Diazo-5-Oxo-L-Norleucine (−4.7 kcal/mol) with GLS. Molecular dynamics simulations were used to evaluate the results further, and a 100 ns MD simulation revealed that the hits form stable complexes with GLS and formed 2–5 hydrogen bond interactions. This study indicates that these hits might be employed as GLS inhibitors in the battle against cancer. However, more laboratory tests are a prerequisite to optimize them as GLS inhibitors.
Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation
Authors: Elwan Alaa , Abdallah Abdallah E. , Mahdy Hazem A. , Dahab Mohammed A. , Taghour Mohammed S. , Elkaeed Eslam B. , Mehany Ahmed B. M. , Nabeeh Ahmed , Adel Mohammed , Alsfouk Aisha A. , Elkady Hazem , Eissa Ibrahim H.
Published: August 2022

This work is one of our efforts to discover potent anticancer agents. We modified the most promising derivative of our previous work concerned with the development of VEGFR-2 inhibitor candidates. Thirteen new compounds based on benzoxazole moiety were synthesized and evaluated against three human cancer cell lines, namely, breast cancer (MCF-7), colorectal carcinoma (HCT116), and hepatocellular carcinoma (HepG2). The synthesized compounds were also evaluated against VEGFR-2 kinase activity. The biological testing fallouts showed that compound 8d was more potent than standard sorafenib. Such compound showed IC50 values of 3.43, 2.79, and 2.43 µM against the aforementioned cancer cell lines, respectively, compared to IC50 values of 4.21, 5.30, and 3.40 µM reported for sorafenib. Compound 8d also was found to exert exceptional VEGFR-2 inhibition activity with an IC50 value of 0.0554 μM compared to sorafenib (0.0782 μM). In addition, compound 8h revealed excellent cytotoxic effects with IC50 values of 3.53, 2.94, and 2.76 µM against experienced cell lines, respectively. Furthermore, compounds 8a and 8e were found to inhibit VEGFR-2 kinase activity with IC50 values of 0.0579 and 0.0741 μM, exceeding that of sorafenib. Compound 8d showed a significant apoptotic effect and arrested the HepG2 cells at the pre-G1 phase. In addition, it exerted a significant inhibition for TNF-α (90.54%) and of IL-6 (92.19%) compared to dexamethasone (93.15%). The molecular docking studies showed that the binding pattern of the new compounds to VEGFR-2 kinase was similar to that of sorafenib.
Assessing the Influence of Multimodal Feedback in Mobile-Based Musical Task Performance
Authors: Clément Alexandre , Bernardes Gilberto
Published: August 2022

Digital musical instruments have become increasingly prevalent in musical creation and production. Optimizing their usability and, particularly, their expressiveness, has become essential to their study and practice. The absence of multimodal feedback, present in traditional acoustic instruments, has been identified as an obstacle to complete performer–instrument interaction in particular due to the lack of embodied control. Mobile-based digital musical instruments present a particular case by natively providing the possibility of enriching basic auditory feedback with additional multimodal feedback. In the experiment presented in this article, we focused on using visual and haptic feedback to support and enrich auditory content to evaluate the impact on basic musical tasks (i.e., note pitch tuning accuracy and time). The experiment implemented a protocol based on presenting several musical note examples to participants and asking them to reproduce them, with their performance being compared between different multimodal feedback combinations. Collected results show that additional visual feedback was found to reduce user hesitation in pitch tuning, allowing users to reach the proximity of desired notes in less time. Nonetheless, neither visual nor haptic feedback was found to significantly impact pitch tuning time and accuracy compared to auditory-only feedback.
Ameliorative Effects by Hexagonal Boron Nitride Nanoparticles against Beta Amyloid Induced Neurotoxicity
Authors: Aydin Nursah , Turkez Hasan , Tozlu Ozlem Ozdemir , Arslan Mehmet Enes , Yavuz Mehmet , Sonmez Erdal , Ozpolat Ozgur Fırat , Cacciatore Ivana , Di Stefano Antonio , Mardinoglu Adil
Published: August 2022

Alzheimer’s disease (AD) is considered as the most common neurodegenerative disease. Extracellular amyloid beta (Aβ) deposition is a hallmark of AD. The options based on degradation and clearance of Aβ are preferred as promising therapeutic strategies for AD. Interestingly, recent findings indicate that boron nanoparticles not only act as a carrier but also play key roles in mediating biological effects. In the present study, the aim was to investigate the effects of different concentrations (0–500 mg/L) of hexagonal boron nitride nanoparticles (hBN-NPs) against neurotoxicity by beta amyloid (Aβ1-42) in differentiated human SH-SY5Y neuroblastoma cell cultures for the first time. The synthesized hBN-NPs were characterized by X-ray diffraction (XRD) measurements, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Aβ1-42-induced neurotoxicity and therapeutic potential by hBN-NPs were assessed on differentiated SH-SY5Y cells using MTT and LDH release assays. Levels of total antioxidant capacity (TAC) and total oxidant status (TOS), expression levels of genes associated with AD and cellular morphologies were examined. The exposure to Aβ1-42 significantly decreased the rates of viable cells which was accompanied by elevated TOS level. Aβ1-42 induced both apoptotic and necrotic cell death. Aβ exposure led to significant increases in expression levels of APOE, BACE 1, EGFR, NCTSN and TNF-α genes and significant decreases in expression levels of ADAM 10, APH1A, BDNF, PSEN1 and PSENEN genes (p < 0.05). All the Aβ1-42-induced neurotoxic insults were inhibited by the applications with hBN-NPs. hBN-NPs also suppressed the remarkable elevation in the signal for Aβ following exposure to Aβ1-42 for 48 h. Our results indicated that hBN-NPs could significantly prevent the neurotoxic damages by Aβ. Thus, hBN-NPs could be a novel and promising anti-AD agent for effective drug development, bio-nano imaging or drug delivery strategies.
An Exploration of Rural–Urban Residence on Self-Reported Health Status with UK Cancer Survivors Following Treatment: A Brief Report
Authors: Nelson David , McGonagle Ian , Jackson Christine , Kane Ros
Published: August 2022

Objective: To explore the effect of rural–urban residence on the self-reported health status of UK cancer survivors following primary treatment. Design: A post-positivist approach utilizing a cross-sectional survey that collected data on demographics, postcode and self-reported health status. Methods: An independent samples t test was used to detect differences in health status between rural and urban respondents. Pearson’s χ2 was used to control for confounding variables and a multivariate analysis was conducted using Stepwise linear regression. Setting: East Midlands of England. Participants: Adult cancer survivors who had undergone primary treatment in the last five years. Participants were excluded if they had recurrence or metastatic spread, started active oncology treatment in the last twelve months, and/or were in receipt of palliative or end-of-life care. Main outcome: Residence was measured using the UK Office for National Statistics (ONS) RUC2011 Rural–Urban Classifications and Health Status via the UK ONS self-reported health status measure. Ethics: The study was reviewed and approved (Ref: 17/WS/0054) by an NHS Research Ethics Committee and the Health Research Authority (HRA) prior to recruitment and data collection taking place. Results: 227 respondents returned a questionnaire (response rate 27%). Forty-five percent (n = 103) were resident in a rural area and fifty-three percent (n = 120) in an urban area. Rural (4.11 ± 0.85) respondents had significantly (p < 0.001) higher self-reported health statuses compared to urban (3.65 ± 0.93) respondents (MD 0.47; 95% CI 0.23, 0.70). Conclusion: It is hoped that the results will stimulate further work in this area and that researchers will be encouraged to collect data on rural–urban residency where appropriate.
Virus Yellows and Syndrome “Basses Richesses” in Western Switzerland: A Dramatic 2020 Season Calls for Urgent Control Measures
Authors: Mahillon Mathieu , Groux Raphaël , Bussereau Floriane , Brodard Justine , Debonneville Christophe , Demal Sonia , Kellenberger Isabelle , Peter Madlaina , Steinger Thomas , Schumpp Olivier
Published: August 2022

Massive outbreaks of virus yellows (VY) and syndrome “basses richesses” (SBR) are thought to be responsible for the major loss of sugar beet yields in 2020 in western cantons of Switzerland. Typical yellowing symptoms were visible during field inspections, and control measures were reportedly ineffective or even absent. Both diseases induce yellowing but have distinct etiologies; while VY is caused by aphid-transmitted RNA viruses, SBR is caused by the cixiid-transmitted γ-proteobacterium Candidatus Arsenophonus phytopathogenicus. To clarify the situation, samples from diseased plants across the country were screened for the causal agents of VY and SBR at the end of the season. Beet yellows virus (BYV) and Beet chlorosis virus (BChV) showed high incidence nationwide, and were frequently found together in SBR-infected fields in the West. Beet mild yellowing virus (BMYV) was detected in two sites in the West, while there was no detection of Beet western yellows virus or Beet mosaic virus. The nucleotide diversity of the detected viruses was then investigated using classic and high-throughput sequencing. For both diseases, outbreaks were analyzed in light of monitoring of the respective vectors, and symptoms were reproduced in greenhouse conditions by means of insect-mediated inoculations. Novel quantification tools were designed for BYV, BChV and Ca. A. phytopathogenicus, leading to the identification of specific tissues tropism for these pathogens.
The Pharmacist’s Role in Managing COVID-19 in Chronic Kidney Disease Patients: A Review of Existing Strategies and Future Implications
Authors: Karattuthodi Mohammed Salim , Thorakkattil Shabeer Ali , Abdulsalim Suhaj , Sridhar Sathvik Belagodu , Parakkal Sainul Abideen , Arain Savera , Madathil Hafees , Karumbaru Kuzhiyil Ajmal , Mohammed Ahmed Ageeli Mamdouh , Unnikrishnan Mazhuvanchery Kesavan
Published: August 2022

The global burden of the COVID-19 pandemic has not only disrupted healthcare delivery but has also compromised patients’ access to healthcare on account of the scarcity of medications and trained healthcare professionals. COVID-19 has been particularly challenging for patient subpopulations constituting immunocompromised individuals, geriatric patients, and those afflicted by chronic ailments. Reports indicate that diminished kidney function in chronic kidney disease (CKD) renders patients highly susceptible to complications during COVID-19 treatment. Pharmacists, being medication experts, have a significant role in making treatment decisions during COVID-19 infection. This article describes pharmacists’ interventions for monitoring and managing COVID-19 in patients with CKD. Given the massive increase in off-label use of medications to treat COVID-19, pharmacists can contribute substantially towards dosing decisions, reporting adverse medication events, and managing drug–drug interactions in COVID-19 patients suffering from CKD. In addition to traditional methods of delivering their services, the pharmacist should also adopt innovative tele-health systems to optimize patient care and ensure that patients receive safe and effective therapy during the pandemic.