bluuebunny/crossref_metadata_2025 huggingface dataset:
Efficient Memristive Circuit Design of Neural Network-Based Associative Memory for Pavlovian Conditional Reflex
Authors: Khan Samiur Rahman , Al-Shidaifat AlaaDdin , Song Hanjung
Published: October 2022

The brain’s learning and adaptation processes heavily rely on the concept of associative memory. One of the most basic associative learning processes is classical conditioning. This work presents a memristive neural network-based associative memory system. The system can emulate Pavlovian conditioning principles including acquisition, extension, generalization, differentiation, and spontaneous recovery that have not been considered in most of the previous counterparts. The proposed circuit can emulate these principles thanks to the resistance-changing characteristics of the memristor. Generalization has been achieved by providing both unconditional and neutral stimuli to the network to reduce the memristance of the memristor. Differentiation has been attained by employing unconditional and conditional stimuli in a training scheme to obtain a certain memristance that causes the network to respond differently to both stimuli. A revival of an exterminated stimuli is also done by increasing the synaptic weight of the system. Compared to previous designs, the proposed memristive circuit can implement all the functions of conditional reflex. Our rigorous simulations demonstrated that the proposed memristive system can condition neutral stimuli, show generalization between similar stimuli, distinguish dissimilarities between the generalized stimuli, and recover faded stimuli.
Effects of Multi-Pass Turning on Stress Corrosion Cracking of AISI 304 Austenitic Stainless Steel
Authors: Zhang Yansong , Xue Huan , Li Yongchun , Wang Xuelin , Jiang Xinli , Yang Chongwen , Fang Kewei , Zhang Wenqian , Jiang Hui
Published: October 2022

Austenitic stainless steels are extensively used in mechanical engineering. The machined surface integrity has an essential influence on the stress corrosion cracking (SCC) performance of stainless steels. In this paper, the effects of multi-pass turning on the SCC susceptibility of AISI 304 austenitic stainless steel were investigated by correlating the SCC crack density to the machining-induced surface characteristics in terms of roughness, micro-hardness, and residual stress. In the multi-pass turning, the surface roughness and residual stress were the least after the double pass turning, and the surface micro-hardness was the maximum after the triple-pass turning. The SCC susceptibility was evaluated after SCC tests in boiling MgCl2 solution. The results showed that the weakest SCC sensitivity was observed in double-pass turning 304 stainless steel, while the most susceptible SCC was found in triple-pass turning. Compared with the double-pass turning, the increase in SCC sensitivity of triple-pass turning was attributed to the larger roughness, higher micro-hardness and greater residual tensile stresses.
Estimation of Surface Roughness on Milled Surface Using Capacitance Sensor Based Micro Gantry System through Single-Shot Approach
Authors: Mathiyazhagan Rajendran , SampathKumar SenthamaraiKannan , Karthikeyan Palanisamy
Published: October 2022

The profile generation is highly complex for roughness measurement using a capacitive sensor because of the small peak-to-peak width of the machined surface and the close proximity of the sensor setting with the machining setup which has the chance of damaging the sensor. Considering these shortcomings, a higher sensor sensing diameter with an appropriate resolution has been selected for a single-shot approach. An automated micro gantry XYZ system is integrated with a capacitive sensor to precisely target, move, and measure the roughness. For investigation, a vertical milled surface with a wide roughness range has been prepared. A Stylus profilometer has been used to measure the roughness (Ra) of the specimens for comparison. An experiment has been conducted on the above system with a 5.6 mm capacitance sensor, and an estimation model using regression has been obtained using sensor data to estimate Ra. In conclusion, the single-shot approach with a 5.6 mm sensing diameter sensor, the proposed micro gantry system, and the estimation model performs better in instantaneous noncontact measurement in the range of 0.3 µm to 2.9 µm roughness estimation. The influence of tilt and waviness has also been discussed using FEA analysis.
Nitrogen Self-Doping Carbon Derived from Functionalized Poly(Vinylidene Fluoride) (PVDF) for Supercapacitor and Adsorption Application
Authors: Zheng Yantao , Liu Qifei , Guan Xingyu , Liu Yuan , Nie Shengqiang , Wang Yi
Published: October 2022

A new synthetic strategy has been developed for the facile fabrication of a N-doped porous carbon (NC-800) material via a facile carbonization of functionalized poly(vinylidene fluoride) (PVDF). The prepared NC-800 exhibits good specific capacitance of 205 F/g at 1 A/g and cycle stability (95.2% retention after 5000 cycles at 1 A/g). The adsorption capacity of NC-800 on methylene blue and methyl orange was 780 mg/g and 800 mg/g, respectively. The facile and economical method and good performance (supercapacitor and adsorption) suggest that the NC-800 is a promising material for energy storage and adsorption.
Performance Analysis of Electromyogram Signal Compression Sampling in a Wireless Body Area Network
Authors: Zhang Liangyu , Chen Junxin , Ma Chenfei , Liu Xiufang , Xu Lisheng
Published: October 2022

The rapid growth in demand for portable and intelligent hardware has caused tremendous pressure on signal sampling, transfer, and storage resources. As an emerging signal acquisition technology, compressed sensing (CS) has promising application prospects in low-cost wireless sensor networks. To achieve reduced energy consumption and maintain a longer acquisition duration for high sample rate electromyogram (EMG) signals, this paper comprehensively analyzes the compressed sensing method using EMG. A fair comparison is carried out on the performances of 52 ordinary wavelet sparse bases and five widely applied reconstruction algorithms at different compression levels. The experimental results show that the db2 wavelet basis can sparse EMG signals so that the compressed EMG signals are reconstructed properly, thanks to its low percentage root mean square distortion (PRD) values at most compression ratios. In addition, the basis pursuit (BP) reconstruction algorithm can provide a more efficient reconstruction process and better reconstruction performance by comparison. The experiment records and comparative analysis screen out the suitable sparse bases and reconstruction algorithms for EMG signals, acting as prior experiments for further practical applications and also a benchmark for future academic research.
Modeling and Mathematical Investigation of Blood-Based Flow of Compressible Rate Type Fluid with Compressibility Effects in a Microchannel
Authors: Guedri Kamel , Lashin Maha M. A. , Abbasi Aamar , Khan Sami Ullah , Tag-ElDin El Sayed Mohamed , Khan Muhammad Ijaz , Khalil Fozia , Galal Ahmed M.
Published: October 2022

In this investigation, the compressibility effects are visualized on the flow of non-Newtonian fluid, which obeys the stress–strain relationship of an upper convected Maxwell model in a microchannel. The fundamental laws of momentum and mass conservation are used to formulate the problem. The governing nonlinear partial differential equations are reduced to a set of ordinary differential equations and solved with the help of the regular perturbation method assuming the amplitude ratio (wave amplitude/half width of channel) as a flow parameter. The axial component of velocity and flow rate is computed through numerical integration. Graphical results for the mean velocity perturbation function, net flow and axial velocity have been presented and discussed. It is concluded that the net flow rate and Dwall increase in case of the linear Maxwell model, while they decrease in case of the convected Maxwell model. The compressibility parameter shows the opposite results for linear and upper convected Maxwell fluid.
A Study on Over-Molded Copper-Based Flexible Electronic Circuits
Authors: Bakr Mona , Hubmann Martin , Bossuyt Frederick , Vanfleteren Jan
Published: October 2022

Over-molding has been proposed in recent years as an integrated functional flexible circuit board in a plastic part. This method uses the conventional process for film insert technology. Over-molding has attracted significant attention across many industries due to its potential to deliver different electrical functions in a variety of different part geometries, especially in automotive interiors and home appliances. While it has great application potential, manufacturing challenges continue throughout foil fabrication and injection molding. This raises challenges for designers and researchers responsible for maintaining the reliability of such electronic flexible circuits. Therefore, the purpose of this research paper is to improve some of the over-molding process parameters. On 0805 and 1206 over-molded zero-ohm resistors, electrical, mechanical, and failure characterization was performed. Those components were mounted in parallel, perpendicular, and 45° angled arrangements on two different polymer substrates, polyimide (PI) and polyethylene terephthalate (PET) using lead-free solder, low-melt solder, and conductive adhesive paste. Moreover, as an over-molding material, polycarbonate (PC) with medium viscosity was used. The effect of using different mold shapes (corner mold, 2 mm flat mold, and 3 mm flat mold) and injection molding process parameters (injection speeds and melt temperature) was studied.
High-Throughput Separation of Long DNA in Deterministic Lateral Displacement Arrays
Authors: Ström Oskar E. , Beech Jason P. , Tegenfeldt Jonas O.
Published: October 2022

Length-based separation of DNA remains as relevant today as when gel electrophoresis was introduced almost 100 years ago. While new, long-read genomics technologies have revolutionised accessibility to powerful genomic data, the preparation of samples has not proceeded at the same pace, with sample preparation often constituting a considerable bottleneck, both in time and difficulty. Microfluidics holds great potential for automated, sample-to-answer analysis via the integration of preparatory and analytical steps, but for this to be fully realised, more versatile, powerful and integrable unit operations, such as separation, are essential. We demonstrate the displacement and separation of DNA with a throughput that is one to five orders of magnitude greater than other microfluidic techniques. Using a device with a small footprint (23 mm × 0.5 mm), and with feature sizes in the micrometre range, it is considerably easier to fabricate than parallelized nano-array-based approaches. We show the separation of 48.5 kbp and 166 kbp DNA strands achieving a significantly improved throughput of 760 ng/h, compared to previous work and the separation of low concentrations of 48.5 kbp DNA molecules from a massive background of sub 10 kbp fragments. We show that the extension of DNA molecules at high flow velocities, generally believed to make the length-based separation of long DNA difficult, does not place the ultimate limitation on our method. Instead, we explore the effects of polymer rotations and intermolecular interactions at extremely high DNA concentrations and postulate that these may have both negative and positive influences on the separation depending on the detailed experimental conditions.
Trace Metal Enrichment in the Colloidal Fraction in Soils Developing on Abandoned Mine Spoils
Authors: Chowdhury Md Abu Raihan , Singer David M.
Published: October 2022

The release of colloid-bound trace metals from abandoned coal mine spoils can potentially be a significant source of contamination during weathering. We examined the size-dependent enrichment of trace metals in mine spoil samples using centrifugation and acid extraction to compare metal loading in the bulk and colloid fractions. A combination of X-ray diffraction (XRD), scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS), and focused ion beam (FIB) sectioning of selected colloids for transmission electron microscopy (TEM) analyses was used to determine the morphology and elemental and mineral composition at the micro- and nanoscales. In contrast to bulk soils, primary Fe-sulfides (up to 11%) and secondary Fe(III)-bearing phases (up to 5%) were a significant portion of the colloid mineralogy. Secondary Fe-(hydro)oxides and (hydroxy)sulfates were enriched with Mn, Ni, Cu, and Zn, and these metals showed stronger correlations with Fe in the colloid fraction (R2 of 0.58, 0.77, 0.94, and 0.81, respectively) than in the bulk fraction (R2 of 0.40, 0.09, 0.84, and 0.62, respectively), indicating that Fe-bearing colloids are likely major trace-metal-bearing phases. The results from this study will help to design better remediation projects for abandoned mine spoils to better account for a potentially underappreciated mode of contaminant transport.
Timing of Paleozoic Metamorphism in the Jiaobei Terrane, East China: Evidence from Apatite U-Pb Age and Trace Element Composition
Authors: Sun Kefei , An Maoguo , Jiang Xiangyong , Zhi Chenglong , Tan Hongjie
Published: October 2022

The northward subduction of the Paleo-Tethys oceanic crust in the Paleozoic to Mesozoic is critical for the tectonic evolution of the Qinling-Tongbai-Hong’an-Dabie-Sulu-Imjingang-Gyeonggi orogenic belt. However, the Paleozoic geological fingerprint of the Paleo-Tethys oceanic crust subduction in the Dabie-Sulu orogenic belt remains obscure. In the present study, apatite from the Muniushan monzogranite in the Houkuang area was analyzed to constrain the age of metamorphism in the Jiaobei Terrane and is regarded as the response to the Paleo-Tethys oceanic crust subduction in the Early Permian. Muniushan apatite with obvious negative Eu anomaly is enriched in LREE and depleted in HREE. The chondrite-normalized REE patterns of apatite correspond with I-type granitoids and mafic igneous rocks, implying a magmatic origin. Igneous apatite grains have reset compositional zonation in the cathodoluminescence image. Apatites plotted on a support vector machine apatite classification biplot and Eu/Y-Ce discrimination diagram shows a tendency from the region of “mafic igneous rocks and I-type granitoids” to “low and middle metamorphic”. This evidence consistently suggests that the Muniushan apatite suffered metamorphism at a later stage. The twenty-six apatite grains from the Muniushan monzogranite yield a metamorphic age of 297 ± 8 Ma (by LA-ICP-MS U-Pb), which is different from the Muniushan zircon SHRIMP U-Pb results of 2110 ± 4 Ma, indicating the metamorphism occurred in the Early Permian and reset the U-Pb system of apatite. The Early Permian metamorphism that occurred in the Jiaobei Terrane is synchronous to the subduction of the Paleo-Tethys oceanic crust and is the response to the Paleo-Tethys oceanic crust subduction.
Systematical Ingredient Investigations of Ficus tikoua Bur. Fruit and Immunoregulatory and Antioxidant Effects of Different Fractions
Authors: Gong Yu , Luo Wei , Chen Hulan , Ren Bo , Hu Weicheng , Li Limei
Published: October 2022

Although the fruit of Ficus tikoua Bur. has been consumed by montanic people in China for centuries, its chemical and biological composition was still unclear. A series of comprehensive investigations on its chemical constituents and bioactivities were carried out for the first time. As a result, six compounds were isolated and identified as the main components in this fruit. GC–MS analysis of the lipid components demonstrated that Ficus tikoua Bur. fruit contains some wholesome constituents such as fatty acids, vitamins, triterpenoids, and phytosterols. The fatty acids are mainly composed of linolenic acid (61.27%) and linoleic acid (22.79%). Furthermore, this fruit contains a relative high content of crude protein (9.41 ± 0.03%), total amino acids (9.28%), and total polyphenols (0.86 ± 0.01 g/100 g). The analysis of monosaccharide composition showed that the total polysaccharide mainly consists of glucose, glucuronic acid, xylose, arabinose, mannose, galactose, galacturonic acid, and rhamnose. The polysaccharide, polyphenol, water, ethanol, and flavonoid extracts exhibited prominent antioxidant activity determined by ABTS, DPPH, and FRAPS methods. Meanwhile, the total polysaccharide exhibited significant immunomodulatory effect by enhancing the release of cytokines and expression of iNOS and COX-2 in RAW264.7 cells, significantly decreasing the expression of c-Jun and p65 proteins in the cytoplasm; increasing the translocation of c-Jun and p65 to the nucleus; and regulating the phosphorylation level of Akt, PI3K, and PDK1 in the PI3K/AKT signaling pathway. This study proved that the fruit of F. tikoua is a reliable source of functional food.
Synthesis of Phenylboronic Acid-Functionalized Magnetic Nanoparticles for Sensitive Soil Enzyme Assays
Authors: Li Can , Shi Zhishang , Cai Jinxing , Wang Ping , Wang Fang , Ju Meiting , Liu Jinpeng , Yu Qilin
Published: October 2022

Soil enzymes, such as invertase, urease, acidic phosphatase and catalase, play critical roles in soil biochemical reactions and are involved in soil fertility. However, it remains a great challenge to efficiently concentrate soil enzymes and sensitively assess enzyme activity. In this study, we synthesized phenylboronic acid-functionalized magnetic nanoparticles to rapidly capture soil enzymes for sensitive soil enzyme assays. The iron oxide magnetic nanoparticles (MNPs) were firstly prepared by the co-precipitation method and then functionalized by (3-aminopropyl)triethoxysilane, polyethyleneimine and phenylboric acid in turn, obtaining the final nanoparticles (MNPPBA). Protein-capturing assays showed that the functionalized MNPs had a much higher protein-capturing capacity than the naked MNPs (56% versus 6%). Moreover, MNPPBA almost thoroughly captured the tested enzymes, i.e., urease, invertase, and alkaline phosphatase, from enzyme solutions. Based on MNPPBA, a soil enzyme assay method was developed by integration of enzyme capture, magnetic separation and trace enzyme analysis. The method was successfully applied in determining trace enzyme activity in rhizosphere soil. This study provides a strategy to sensitively determine soil enzyme activity for mechanistic investigation of soil fertility and plant–microbiome interaction.
Comprehensive Biological Potential, Phytochemical Profiling Using GC-MS and LC-ESI-MS, and In-Silico Assessment of Strobilanthes glutinosus Nees: An Important Medicinal Plant
Authors: Aziz Marya , Ahmad Saeed , Khurshid Umair , Pervaiz Irfan , Lodhi Arslan Hussain , Jan Nasrullah , Khurshid Sameera , Arshad Muhammad Adeel , Ibrahim Mohamed M. , Mersal Gaber A. M. , Alenazi Fahaad S. , Awadh Saleh Alamri Ahmed , Butt Juwairiya , Saleem Hammad , El-Bahy Zeinhom M.
Published: October 2022

Plants of the genus Strobilanthes have notable use in folklore medicines as well as being used for pharmacological purposes. The present work explored the biological predispositions of Strobilanthes glutinosus and attempted to accomplish a comprehensive chemical profile through GC-MS of different fractions concerning polarity (chloroform and n-butanol) and LC-ESI-MS of methanolic extract by both positive and negative ionization modes. The biological characteristics such as antioxidant potential were assessed by applying six different methods. The potential for clinically relevant enzyme (α-amylase, α-glucosidase, and tyrosinase) inhibition was examined. The DPPH, ABTS, CUPRAC, and FRAP results revealed that the methanol fraction presented efficient results. The phosphomolybdenum assay revealed that the n-hexane fraction showed the most efficient results, while maximum metal chelation potential was observed for the chloroform fraction. The GC-MS profiling of n-butanol and chloroform fractions revealed the existence of several (110) important compounds presenting different classes (fatty acids, phenols, alkanes, monoterpenes, diterpenes, sesquiterpenoids, and sterols), while LC-ESI-MS tentatively identified the presence of 44 clinically important secondary metabolites. The n-hexane fraction exhibited the highest potential against α-amylase (497.98 mm ACAE/g extract) and α-glucosidase (605.85 mm ACAE/g extract). Significant inhibitory activity against tyrosinase enzyme was displayed by fraction. Six of the prevailing compounds from the GC-MS study (lupeol, beta-amyrin, stigmasterol, gamma sitosterol, 9,12-octadecadienoic acid, and n-hexadecanoic acid) were modelled against α-glucosidase and α-amylase enzymes along with a comparison of binding affinity to standard acarbose, while three compounds identified through LC-ESI-MS were docked to the mushroom tyrosinase enzyme and presented with significant biding affinities. Thus, it is assumed that S. glutinosus demonstrated effective antioxidant and enzyme inhibition prospects with effective bioactive molecules, potentially opening the door to a new application in the field of medicine.
Energy Crops and Methane: Process Optimization of Ca(OH)2 Assisted Thermal Pretreatment and Modeling of Methane Production
Authors: Akman Hasmet Emre , Perendeci Nuriye Altınay , Ertekin Can , Yaldiz Osman
Published: October 2022

Switchgrass earned its place globally as a significant energy crop by possessing essential properties such as being able to control erosion, low cost of production, biomass richness, and appeal for biofuel production. In this study, the impact of a Ca(OH)2-assisted thermal pretreatment process on the switchgrass variety Shawnee for methane fuel production was investigated. The Ca(OH)2-assisted thermal pretreatment process was optimized to enhance the methane production potential of switchgrass. Solid loading (3–7%), Ca(OH)2 concentration (0–2%), reaction temperature (50–100 °C), and reaction time (6–16 h) were selected as independent variables for the optimization. Methane production was obtained as 248.7 mL CH4 gVS−1 under the optimized pretreatment conditions. Specifically, a reaction temperature of 100 °C, a reaction time of 6 h, 0% Ca(OH)2, and 3% solid loading. Compared to raw switchgrass, methane production was enhanced by 14.5%. Additionally, the changes in surface properties and bond structure, along with the kinetic parameters from first order, cone, reaction curve, and modified Gompertz modeling revealed the importance of optimization.
Isolation of Phenolic Compounds from Raspberry Based on Molecular Imprinting Techniques and Investigation of Their Anti-Alzheimer’s Disease Properties
Authors: Wu Qian , Naeem Abid , Zou Jiamei , Yu Chengqun , Wang Yingjie , Chen Jingbin , Ping Yuhui
Published: October 2022

Alzheimer’s disease is the most common neurodegenerative disease, characterized by memory loss and cognitive dysfunction. Raspberry fruits contain polyphenols which have antioxidant and anti-inflammatory properties. In this study, we used molecular imprinting technology to efficiently isolate phenolic components from the raspberry ethyl acetate extracts. Six phenolic components (ellagic acid, tiliroside, kaempferol-3-o-rutoside, gallic acid, ferulic acid and vanillic acid) were identified by UPLC-Q-TOF-MS analysis. Molecular docking was used to predict the anti-inflammatory effects and anti-Alzheimer’s potential of these isolated compounds, which showed a good binding ability to diseases and related proteins. However, the binding energy and docking fraction of ellagic acid, tiliroside, and kaempferol-3-o-rutoside were better than those of gallic acid, ferulic acid and vanillic acid. Additionally, by studying the effects of these six phenolic components on the LPS-induced secretion of inflammatory mediators in murine microglial (BV2) cells, it was further demonstrated that they were all capable of inhibiting the secretion of NO, IL-6, TNF-α, and IL-1β to a certain extent. However, ellagic acid, tiliroside, and kaempferol-3-o-rutoside have better inhibitory effects compared to others. The results obtained suggest that the phenolic components extracted from ethyl acetate extracts of raspberry by molecularly imprinted polymers have the potential to inhibit the progression of Alzheimer’s disease.
Evaluation of the Key Structural Features of Various Butyrylcholinesterase Inhibitors Using Simple Molecular Descriptors
Authors: Miličević Ante , Šinko Goran
Published: October 2022

In this study, we developed several QSAR models based on simple descriptors (such as topological and constitutional) to estimate butyrylcholinesterase (BChE) inhibition potency, pKi (or pIC50), of a set of 297 (289 after exclusion of outliers) structurally different compounds. The models were similar to the best model that we obtained previously for acetylcholinesterase AChE and were based on the valence molecular connectivity indices of second and third order (2χv and 3χv), the number of aliphatic hydroxyl groups (nOH), AlogP Ghose–Crippen octanol–water partition coeff. (logP), and O-060–atom-centred fragments (Al-O-Ar, Ar-O-Ar, R..O..R and R-O-C=X). The best models with two and three descriptors yielded r = 0.787 and S.E. = 0.89, and r = 0.827 and S.E. = 0.81, respectively. We also correlated nine scoring functions, calculated for 20 ligands whose complexes with BChE we found in the Protein Data Bank as crystal structures to pKi (or pIC50). The best correlations yielded PLP1 and PLP2 (Piecewise Linear Pairwise potential functions) with r = 0.619 and 0.689, respectively. Correlation with certain simple topological and constitutional descriptors yielded better results, e.g., 3χv (r = 0.730), on the same set of compounds (N = 20).
Antihypertensive Activity of the Alkaloid Aspidocarpine in Normotensive Wistar Rats
Authors: Monteiro Noemi Oliveira , Monteiro Theresa de Moura , Nogueira Thalya Soares R. , Cesar Jacqueline Rodrigues , Nascimento Lara Pessanha S. , Campelo Karoline Azerêdo , Silveira Graziela Rangel , Antunes Fernanda , de Oliveira Daniela Barros , de Carvalho Junior Almir Ribeiro , Braz-Filho Raimundo , Vieira Ivo José Curcino
Published: October 2022

The alkaloid Aspidocarpine was isolated from the bark of Aspidosperma desmanthum. Its structure was elucidated by the spectral data of 1H and 13C-NMR (1D and 2D) and high-resolution mass spectrometry (HRESIMS). The antihypertensive activity was investigated by intravenous infusion in Wistar rats. This alkaloid significantly reduced (p < 0.05) the systolic, median, and diastolic blood pressures of rodents, without causing motor incoordination and imbalance in the rotarod test. The results indicate that the alkaloid Aspidocarpine exerts its antihypertensive activity without causing sedation or the impairment of motor functions.
Molybdenum Cofactor Deficiency in Humans
Authors: Johannes Lena , Fu Chun-Yu , Schwarz Günter
Published: October 2022

Molybdenum cofactor (Moco) deficiency (MoCD) is characterized by neonatal-onset myoclonic epileptic encephalopathy and dystonia with cerebral MRI changes similar to hypoxic–ischemic lesions. The molecular cause of the disease is the loss of sulfite oxidase (SOX) activity, one of four Moco-dependent enzymes in men. Accumulating toxic sulfite causes a secondary increase of metabolites such as S-sulfocysteine and thiosulfate as well as a decrease in cysteine and its oxidized form, cystine. Moco is synthesized by a three-step biosynthetic pathway that involves the gene products of MOCS1, MOCS2, MOCS3, and GPHN. Depending on which synthetic step is impaired, MoCD is classified as type A, B, or C. This distinction is relevant for patient management because the metabolic block in MoCD type A can be circumvented by administering cyclic pyranopterin monophosphate (cPMP). Substitution therapy with cPMP is highly effective in reducing sulfite toxicity and restoring biochemical homeostasis, while the clinical outcome critically depends on the degree of brain injury prior to the start of treatment. In the absence of a specific treatment for MoCD type B/C and SOX deficiency, we summarize recent progress in our understanding of the underlying metabolic changes in cysteine homeostasis and propose novel therapeutic interventions to circumvent those pathological changes.
Diastereoselective Synthesis of Highly Functionalized Proline Derivatives
Authors: Philippova Anna N. , Vorobyeva Daria V. , Gribanov Pavel S. , Dolgushin Fedor M. , Osipov Sergey N.
Published: October 2022

An efficient way to access highly functionalized proline derivatives was developed based on a Cu(I)-catalyzed reaction between CF3-substituted allenynes and tosylazide, which involved a cascade of [3 + 2]-cycloaddition/ketenimine and a rearrangement/Alder-ene cyclization to afford the new proline framework with a high diastereoselectivity.
Integrated Metabolome and Lipidome Strategy to Reveal the Action Pattern of Paclobutrazol, a Plant Growth Retardant, in Varying the Chemical Constituents of Platycodon Root
Authors: Lan Lan , Huang Weizhen , Zhou Heng , Yuan Jiajia , Miao Shui , Mao Xiuhong , Hu Qing , Ji Shen
Published: October 2022

Platycodon root, a medicinal food homology species which has been used in Asian countries for hundreds of years, is now widely cultivated in China. Treatment with paclobutrazol, a typical plant growth retardant, has raised uncertainties regarding the quality of Platycodon root, which have been rarely investigated. In the present study, metabolomic and lipidomic differences were revealed by ultra-high performance liquid chromatography coupled to ion mobility-quadrupole time of flight mass spectrometry (UPLC-IM-QTOF-MS). A significant decrease of platycodigenin-type saponins was observed in the paclobutrazol-treated sample. Carrying out a comprehensive quantitative analysis, the contents of total saponins and saccharides were determined to illustrate the mode of action of paclobutrazol on Platycodon root. This study demonstrated an exemplary research model in explaining how the exogenous matter influences the chemical properties of medicinal plants, and therefore might provide insights into the reasonable application of plant growth regulators.
A Multi-Analytical Approach on Silver-Copper Coins of the Roman Empire to Elucidate the Economy of the 3rd Century A.D.
Authors: Marussi Giovanna , Crosera Matteo , Prenesti Enrico , Cristofori Davide , Callegher Bruno , Adami Gianpiero
Published: October 2022

In this study, 160 silver-copper alloy denarii and antoniniani from the 3rd century A.D. were studied to obtain their overall chemical composition. The approach used for their characterisation is based on a combination of physical, chemical, and chemometric techniques. The aim is to identify and quantify major and trace elements in Roman silver-copper coins in order to assess changes in composition and to confirm the devaluation of the currency. After a first cataloguing step, μ-EDXRF and SEM-EDX techniques were performed to identify the elements on the coins’ surface. A micro-destructive sampling method was employed on a representative sample of the coins to quantify the elements present in the bulk. The powder obtained from drilling 12 coins (keeping the two categories of coins separate) was dissolved in an acidic medium; heated and sonicated to facilitate dissolution; and then analysed by ICP-AES and ICP-MS. The two currencies had different average alloy percentages; in particular, the % difference of Ag was about 8%. The other elements were found in concentrations <1 wt%. Of these, the element highest in concentration were Pb and Sn, which is in agreement with the literature. The multivariate analysis performed on the data acquired revealed two groups of coins, corresponding to the two currencies.
Novel Coumarin 7-Carboxamide/Sulfonamide Derivatives as Potential Fungicidal Agents: Design, Synthesis, and Biological Evaluation
Authors: Zhang Shu-Guang , Wan Yu-Qiang , Wen Ya , Zhang Wei-Hua
Published: October 2022

Coumarin compounds have a variety of biological activities such as anti-tumor, anti-coagulation, anti-HIV, anti-fungal, and insecticidal. Amide and sulfonamide compounds have been used as fungicides for half a century, and dozens of varieties have been developed so far. This study focused on the introduction of carboxamide and sulfonamide moieties in a coumarin core to discover novel derivatives. Based on this strategy, we synthesized two series of novel carboxamide and sulfonamide substituted coumarin derivatives, and their fungicidal activity was also investigated. Some designed compounds possessed potential activities against six phytopathogenic fungi in the primary assays, highlighted by compound 6r. Compound 6r exhibited stronger fungicidal activity against Botrytis cinerea (EC50 = 20.52 µg/mL) and will be the lead structure for further study.
Computational Design, Synthesis, and Pharmacological Evaluation of Naproxen-Guaiacol Chimera for Gastro-Sparing Anti-Inflammatory Response by Selective COX2 Inhibition
Authors: Shinu Pottathil , Sharma Manu , Gupta Girdhari Lal , Mujwar Somdutt , Kandeel Mahmoud , Kumar Manish , Nair Anroop B. , Goyal Manoj , Singh Purna , Attimarad Mahesh , Venugopala Katharigatta N. , Nagaraja Sreeharsha , Telsang Mallikarjun , Aldhubiab Bandar E. , Morsy Mohamed A.
Published: October 2022

The 4-allyl guaiacol is a natural phenolic molecule that has been widely studied for its antioxidant capacity against reactive-oxygen-species-mediated cellular damage. Therefore, we hypothesized that concomitant use of an antioxidant and NSAID may decrease the risk of gastrointestinal toxicity and make the therapy safer. To address the gastrointestinal toxicity of conventional NSAIDs, a new S-naproxen-4-allyl guaiacol chimera (MAS-1696) was computationally developed, chemically synthesized, and tested for anti-inflammatory effectiveness and gastrointestinal safety. The inhibitory potency of MAS-1696 tested against cyclooxygenase-2 (COX2), 15-lipoxygenase-2 (15-LOX2), and lipoxygenase-5 (5-LOX) in vitro revealed a stronger inhibition of COX2. Furthermore, the MAS-1696 chimera increased the COX selectivity index by 23% as compared to the parent compound naproxen, implying higher efficacy and gastric safety. In vivo data showed that MAS-1696 was less likely to cause gastrointestinal harm than naproxen while also exerting anti-inflammatory and analgesic effects equivalent to or superior to naproxen. In conclusion, MAS-1696 is orally active, bio-labile, and crystalline, making it a medication that may be administered orally.
Design, Synthesis, Crystal Structure, In Vitro and In Silico Evaluation of New N′-Benzylidene-4-tert-butylbenzohydrazide Derivatives as Potent Urease Inhibitors
Authors: Ahmad Sajjad , Khan Momin , Rehman Najeeb Ur , Ikram Muhammad , Rehman Sadia , Ali Mahboob , Uddin Jalal , Khan Ajmal , Alam Aftab , Al-Harrasi Ahmed
Published: October 2022

Background: Hydrazides play a vital role in making biologically active compounds in various fields of chemistry. These determine antioxidant, antidepressant, antimalarial, anti-inflammatory, antiglycating, and antimicrobial activity. In the present study, twenty-three new N′ benzylidene-4-(tert-butyl)benzohydrazide derivatives (4–26) were synthesized by the condensation of aromatic aldehydes and commercially available 4-(tert-butyl)benzoic acid. All the target compounds were successfully synthesized from good to excellent yield; all synthesized derivatives were characterized via spectroscopic techniques such as HREI-MS and 1H-NMR. Synthesized compounds were evaluated for in vitro urease inhibition. All synthesized derivatives demonstrated good inhibitory activities in the range of IC50 = 13.33 ± 0.58–251.74 ± 6.82 µM as compared with standard thiourea having IC50 = 21.14 ± 0.425 µM. Two compounds, 6 and 25, were found to be more active than standard. SAR revealed that electron donating groups in phenyl ring have more influence on enzyme inhibition. However, to gain insight into the participation of different substituents in synthesized derivatives on the binding interactions with urease enzyme, in silico (computer simulation) molecular modeling analysis was carried out.
Sahlep (Dactylorhiza osmanica): Phytochemical Analyses by LC-HRMS, Molecular Docking, Antioxidant Activity, and Enzyme Inhibition Profiles
Authors: Kiziltas Hatice , Goren Ahmet Ceyhan , Alwasel Saleh H. , Gulcin İlhami
Published: October 2022

Studies have shown an inverse correlation among age-related illnesses like coronary heart disease and cancer and intake of fruit and vegetable. Given the probable health benefits of natural antioxidants from plants, research on them has increased. Dactylorhiza osmanica is consumed as a food and traditional medicine plant in some regions of Turkey, so evaluation of the biological ability of this species is important. In this study, the amount of phenolic content (LC-HRMS), antioxidant activities and enzyme inhibitory properties of an endemic plant, D. osmanica, were investigated. The antioxidant capacities of an ethanol extract of D. osmanica aerial parts (EDOA) and roots (EDOR) were evaluated with various antioxidant methods. Additionally, the enzyme inhibitory effects of EDOA and EDOR were examined against acetylcholinesterase (AChE), α-glycosidase, and α-amylase enzymes, which are associated with common and global Alzheimer’s disease and diabetes mellitus. The IC50 values of EDOA against the enzymes were found to be 1.809, 1.098, and 0.726 mg/mL, respectively; and the IC50 values of EDOR against the enzymes were found to be 2.466, 0.442, and 0.415 mg/mL, respectively. Additionally, LC-HRMS analyses revealed p-Coumaric acid as the most plentiful phenolic in both EDOA (541.49 mg/g) and EDOR (559.22 mg/g). Furthermore, the molecular docking interaction of p-coumaric acid, quercitrin, and vanillic acid, which are the most plentiful phenolic compounds in the extracts, with AChE, α-glucosidase, and α-amylase, were evaluated using AutoDock Vina software. The rich phenolic content and the effective antioxidant ability and enzyme inhibition potentials of EDOA and EDOR may support the plant’s widespread food and traditional medicinal uses.
Cryogel-Templated Fabrication of n-Al/PVDF Superhydrophobic Energetic Films with Exceptional Underwater Ignition Performance
Authors: Li Jingwei , Liu Xuwen , Xie Quanmin , Jia Yongsheng , Sun Jinshan , Yao Yingkang
Published: October 2022

The rapid heat loss and corrosion of nano-aluminum limits the energy performance of metastable intermolecular composites (MICs) in aquatic conditions. In this work, superhydrophobic n-Al/PVDF films were fabricated by the cryogel-templated method. The underwater ignition performance of the energetic films was investigated. The preparation process of energetic materials is relatively simple, and avoids excessively high temperatures, ensuring the safety of the entire experimental process. The surface of the n-Al/PVDF energetic film exhibits super-hydrophobicity. Because the aluminum nanoparticles are uniformly encased in the hydrophobic energetic binder, the film is more waterproof and anti-aging. Laser-induced underwater ignition experiments show that the superhydrophobic modification can effectively induce the ignition of energetic films underwater. The results suggest that the cryogel-templated method provides a feasible route for underwater applications of energetic materials, especially nanoenergetics-on-a-chip in underwater micro-scale energy-demanding systems.
The Role of Quadruple Bonding in the Electron Transport through a Dimolybdenum Tetraacetate Molecule
Authors: Arentov Dmitry O. , Ryzhikov Maxim R. , Kozlova Svetlana G.
Published: October 2022

A dimolybdenum tetraacetate (Mo2(O2CCH3)4) molecule is embedded between two electrodes formed by semi-infinite 1D monatomic chains of lithium, aluminum, and titanium atoms. Electron transport through the Mo2(O2CCH3)4 molecule is calculated. The role of quadrupole bonding in the transport properties of the studied systems is analyzed.
Fabrication and Characterization of Chitosan–Pea Protein Isolate Nanoparticles
Authors: Zhang Man , Li Zikun , Dai Mengqi , He Hongjun , Liang Bin , Sun Chanchan , Li Xiulian , Ji Changjian
Published: October 2022

Chitosan (CS) and pea protein isolate (PPI) were used as raw materials to prepare nanoparticles. The structures and functional properties of the nanoparticles with three ratios (1:1, 1:2 1:3, CS:PPI) were evaluated. The particle sizes of chitosan–pea protein isolate (CS–PPI) nanoparticles with the ratios of 1:1, 1:2, and 1:3 were 802.95 ± 71.94, 807.10 ± 86.22, and 767.75 ± 110.10 nm, respectively, and there were no significant differences. Through the analysis of turbidity, endogenous fluorescence spectroscopy and Fourier transform infrared spectroscopy, the interaction between CS and PPI was mainly caused by electrostatic mutual attraction and hydrogen bonding. In terms of interface properties, the contact angles of nanoparticles with the ratio of 1:1, 1:2, and 1:3 were 119.2°, 112.3°, and 107.0°, respectively. The emulsifying activity (EAI) of the nanoparticles was related to the proportion of protein. The nanoparticle with the ratio of 1:1 had the highest potential and the best thermal stability. From the observation of their morphology by transmission electron microscopy, it could be seen that the nanoparticles with a ratio of 1:3 were the closest to spherical. This study provides a theoretical basis for the design of CS–PPI nanoparticles and their applications in promoting emulsion stabilization and the delivery of active substances using emulsions.
Glycoconjugation of Quinoline Derivatives Using the C-6 Position in Sugars as a Strategy for Improving the Selectivity and Cytotoxicity of Functionalized Compounds
Authors: Domińska Monika , Pastuch-Gawołek Gabriela , Skonieczna Magdalena , Szeja Wiesław , Domiński Adrian , Kurcok Piotr
Published: October 2022

Based on the Warburg effect and the increased demand for glucose by tumor cells, a targeted drug delivery strategy was developed. A series of new glycoconjugates with increased ability to interact with GLUT transporters, responsible for the transport of sugars to cancer cells, were synthesized. Glycoconjugation was performed using the C-6 position in the sugar unit, as the least involved in the formation of hydrogen bonds with various aminoacids residues of the transporter. The carbohydrate moiety was connected with the 8-hydroxyquinoline scaffold via a 1,2,3-triazole linker. For the obtained compounds, several in vitro biological tests were performed using HCT-116 and MCF-7 cancer cells as well as NHDF-Neo healthy cells. The highest cytotoxicity of both cancer cell lines in the MTT test was noted for glycoconjugates in which the triazole-quinoline was attached through the triazole nitrogen atom to the d-glucose unit directly to the carbon at the C-6 position. These compounds were more selective than the analogous glycoconjugates formed by the C-1 anomeric position of d-glucose. Experiments with an EDG inhibitor have shown that GLUTs can be involved in the transport of glycoconjugates. The results of apoptosis and cell cycle analyses by flow cytometry confirmed that the new type of glycoconjugates shows pro-apoptotic properties, without significantly affecting changes in the distribution of the cell cycle. Moreover, glycoconjugates were able to decrease the clonogenic potential of cancer cells, inhibit the migration capacity of cells and intercalate with DNA.
Benzimidazole Bearing Thiosemicarbazone Derivatives Act as Potent α-Amylase and α-Glucosidase Inhibitors; Synthesis, Bioactivity Screening and Molecular Docking Study
Authors: Ullah Hayat , Khan Shoaib , Rahim Fazal , Taha Muhammad , Iqbal Rashid , Sarfraz Maliha , Shah Syed Adnan Ali , Sajid Muhammad , Awad Mohamed F. , Omran Awatif , Albalawi Marzough Aziz , Abdelaziz Mahmoud A. , Al Areefy Azza , Jafri Ibrahim
Published: October 2022

Diabetes mellitus is one of the most chronic metabolic diseases. In the past few years, our research group has synthesized and evaluated libraries of heterocyclic analogs against α-glucosidase and α-amylase enzymes and found encouraging results. The current study comprises the evaluation of benzimidazole-bearing thiosemicarbazone as antidiabetic agents. A library of fifteen derivatives (7–21) was synthesized, characterized via different spectroscopic techniques such as HREI-MS, NMR, and screened against α-glucosidase and α-amylase enzymes. All derivatives exhibited excellent to good biological inhibitory potentials. Derivatives 19 (IC50 = 1.30 ± 0.20 µM and 1.20 ± 0.20 µM) and 20 (IC50 = 1.60 ± 0.20 µM and 1.10 ± 0.01 µM) were found to be the most potent among the series when compared with standard drug acarbose (IC50 = 11.29 ± 0.07 and 11.12 ± 0.15 µM, respectively). These derivatives may potentially serve as the lead candidates for the development of new therapeutic representatives. The structure–activity relationship was carried out for all molecules which are mainly based upon the pattern of substituent/s on phenyl rings. Moreover, in silico docking studies were carried out to investigate the active binding mode of selected derivatives with the target enzymes.
Plasmonic Near-Infrared Photoconductor Based on Hot Hole Collection in the Metal-Semiconductor-Metal Junction
Authors: Sun Zhiwei , Zhong Yongsheng , Dong Yajin , Zheng Qilin , Nan Xianghong , Liu Zhong , Wen Long , Chen Qin
Published: October 2022

Harvesting energetic carriers from plasmonic resonance has been a hot topic in the field of photodetection in the last decade. By interfacing a plasmonic metal with a semiconductor, the photoelectric conversion mechanism, based on hot carrier emission, is capable of overcoming the band gap limitation imposed by the band-to-band transition of the semiconductor. To date, most of the existing studies focus on plasmonic structural engineering in a single metal-semiconductor (MS) junction system and their responsivities are still quite low in comparison to conventional semiconductor, material-based photodetection platforms. Herein, we propose a new architecture of metal-semiconductor-metal (MSM) junctions on a silicon platform to achieve efficient hot hole collection at infrared wavelengths with a photoconductance gain mechanism. The coplanar interdigitated MSM electrode’s configuration forms a back-to-back Schottky diode and acts simultaneously as the plasmonic absorber/emitter, relying on the hot-spots enriched on the random Au/Si nanoholes structure. The hot hole-mediated photoelectric response was extended far beyond the cut-off wavelength of the silicon. The proposed MSM device with an interdigitated electrode design yields a very high photoconductive gain, leading to a photocurrent responsivity up to several A/W, which is found to be at least 1000 times higher than that of the existing hot carrier based photodetection strategies.
Delta-8 Tetrahydrocannabinol Product Impurities
Authors: Ray Colleen L. , Bylo Madison P. , Pescaglia Jonny , Gawenis James A. , Greenlief C. Michael
Published: October 2022

Due to increased concerns regarding unidentified impurities in delta-8 tetrahydrocannabinol (Δ-8 THC) consumer products, a study using Nuclear Magnetic Resonance (NMR), high performance liquid chromatography (HPLC), and mass spectrometry (MS) was conducted to further investigate these products. Ten Δ-8 THC products, including distillates and ready to use vaporizer cartridges, were analyzed. The results yield findings that the tested products contain several impurities in concentrations far beyond what is declared on certificates of analysis for these products. As Δ-8 THC is a synthetic product synthesized from cannabidiol (CBD), there are valid concerns regarding the presence of impurities in these products with unknown effects on the human body. Compounding this problem is apparent inadequate testing of these products by producers and independent laboratories.