bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of the Impact of Land Use Change on Spatial Differentiation of Landscape and Ecosystem Service Values in the Case of Study the Pearl River Delta in China
Authors: Yang Ren , Qin Baoqing , Lin Yuancheng
Published: November 2021

Industrialization and urbanization have led to continuous urban development. The rapid change in land-use type and extent has a significant impact on the capacity of ecosystem services. Changes in the landscape pattern of roads, rivers, railway stations, and expressway entrances and exits have evident geographical proximity effects. We used landscape pattern indices and ecosystem service value (ESV) to evaluate the landscape pattern and ESV spatial differentiation of the Pearl River Delta region and its typical transportation infrastructure and rivers in 1990, 2000, and 2017. The results show that rapid urbanization and industrialization have led to changes in urban land use along the Pearl River Estuary. Urban land changes on the east bank of the Pearl River are greater than urban land changes on the west bank of the Pearl River; the landscape diversity of the Pearl River Delta has increased, the connectivity of the landscape has decreased, and the degree of fragmentation has increased. Second, the city size of the Pearl River Delta was negatively correlated with the ESVs. The ESVs in the core areas of the Pearl River Delta urban agglomeration were smaller than those in the fringe areas. With the gradient change in urban land use, ESVs showed a growing trend from the city center to the surrounding areas. The key areas for ecological protection and restoration should be central urban areas and suburbs. Third, the siphoning effect of the buffer zones of railway stations and expressway entrances and exits was very strong and drove the development and utilization of the surrounding land. As the degree of land development in the buffer zone decreased, the ESVs increased. Fourth, different grades of roads in the Pearl River Delta had different impacts on the regional landscape and ESVs. County roads had a greater interference effect than expressways, national roads, and provincial roads, and the riverside plains of the Pearl River Delta have a large development space, low urban development costs, and multiple land-use activities that have profoundly changed the landscape of the river buffer zone.
Remote Sensing-Based Estimation of Advanced Perennial Grass Biomass Yields for Bioenergy
Authors: Hamada Yuki , Zumpf Colleen R. , Cacho Jules F. , Lee DoKyoung , Lin Cheng-Hsien , Boe Arvid , Heaton Emily , Mitchell Robert , Negri Maria Cristina
Published: November 2021

A sustainable bioeconomy would require growing high-yielding bioenergy crops on marginal agricultural areas with minimal inputs. To determine the cost competitiveness and environmental sustainability of such production systems, reliably estimating biomass yield is critical. However, because marginal areas are often small and spread across the landscape, yield estimation using traditional approaches is costly and time-consuming. This paper demonstrates the (1) initial investigation of optical remote sensing for predicting perennial bioenergy grass yields at harvest using a linear regression model with the green normalized difference vegetation index (GNDVI) derived from Sentinel-2 imagery and (2) evaluation of the model’s performance using data from five U.S. Midwest field sites. The linear regression model using midsummer GNDVI predicted yields at harvest with R2 as high as 0.879 and a mean absolute error and root mean squared error as low as 0.539 Mg/ha and 0.616 Mg/ha, respectively, except for the establishment year. Perennial bioenergy grass yields may be predicted 152 days before the harvest date on average, except for the establishment year. The green spectral band showed a greater contribution for predicting yields than the red band, which is indicative of increased chlorophyll content during the early growing season. Although additional testing is warranted, this study showed a great promise for a remote sensing approach for forecasting perennial bioenergy grass yields to support critical economic and logistical decisions of bioeconomy stakeholders.
The Discordance between Network Excitability and Cognitive Performance Following Vigabatrin Treatment during Epileptogenesis
Authors: Lai Ming-Chi , Huang Chin-Wei
Published: November 2021

Vigabatrin (VGB), a potent selective γ-aminobutyric acid transaminase (GABA-T) inhibitor, is an approved non-traditional anti-seizure drug for patients with intractable epilepsy. Nevertheless, its effect on epileptogenesis, and whether this effect is correlated with post-epileptogenic cognitive function remain unclear. Based on lithium-pilocarpine-induced seizure modeling, we evaluated the effect of VGB on epileptogenesis and neuronal damage following status epilepticus in Sprague–Dawley rats. Cognitive evaluations were performed with the aid of inhibitory avoidance testing. We found that VGB could interrupt epileptogenesis by reducing spontaneous recurrent seizures, hippocampal neuronal damage, and chronic mossy fiber sprouting. Nevertheless, VGB did not help with the retention of cognitive performance. Our findings suggest that further research into the role of VGB in epileptogenesis and the treatment of epilepsy in clinical practice is warranted.
Fuzzy Logical Algebra and Study of the Effectiveness of Medications for COVID-19
Authors: Khalil Shuker , Hassan Ahmed , Alaskar Haya , Khan Wasiq , Hussain Abir
Published: November 2021

A fuzzy logical algebra has diverse applications in various domains such as engineering, economics, environment, medicine, and so on. However, the existing techniques in algebra do not apply to delta-algebra. Therefore, the purpose of this paper was to investigate new types of cubic soft algebras and study their applications, the representation of cubic soft sets with δ-algebras, and new types of cubic soft algebras, such as cubic soft δ-subalgebra based on the parameter λ (λ-CSδ-SA) and cubic soft δ-subalgebra (CSδ-SA) over η. This study explains why the P-union is not really a soft cubic δ-subalgebra of two soft cubic δ-subalgebras. We also reveal that any R/P-cubic soft subsets of (CSδ-SA) is not necessarily (CSδ-SA). Furthermore, we present the required conditions to prove that the R-union of two members is (CSδ-SA) if each one of them is (CSδ-SA). To illustrate our assumptions, the proposed (CSδ-SA) is applied to study the effectiveness of medications for COVID-19 using the python program.
Assessing Methods for Evaluating the Number of Components in Non-Negative Matrix Factorization
Authors: Maisog José M. , DeMarco Andrew T. , Devarajan Karthik , Young Stanley , Fogel Paul , Luta George
Published: November 2021

Non-negative matrix factorization is a relatively new method of matrix decomposition which factors an m × n data matrix X into an m × k matrix W and a k × n matrix H, so that X ≈ W × H. Importantly, all values in X, W, and H are constrained to be non-negative. NMF can be used for dimensionality reduction, since the k columns of W can be considered components into which X has been decomposed. The question arises: how does one choose k? In this paper, we first assess methods for estimating k in the context of NMF in synthetic data. Second, we examine the effect of normalization on this estimate’s accuracy in empirical data. In synthetic data with orthogonal underlying components, methods based on PCA and Brunet’s Cophenetic Correlation Coefficient achieved the highest accuracy. When evaluated on a well-known real dataset, normalization had an unpredictable effect on the estimate. For any given normalization method, the methods for estimating k gave widely varying results. We conclude that when estimating k, it is best not to apply normalization. If the underlying components are known to be orthogonal, then Velicer’s MAP or Minka’s Laplace-PCA method might be best. However, when the orthogonality of the underlying components is unknown, none of the methods seemed preferable.
Preservice Teachers’ Eliciting and Responding to Student Thinking in Lesson Plays
Authors: Lee Ji-Eun , Lim Woong
Published: November 2021

This study presents an analysis of 95 lesson play scripts—hypothetical dialogues between the teacher and a student—written by 32 preservice teachers (PSTs). Writing lesson scripts was part of the assessment design activities to elicit and respond to students’ thinking. The findings present the types and frequencies of teacher talks/moves in fraction-related tasks during a stage of lesson plays, such as launch, active elicitation, and closure. Our analysis indicates a wide range in the number of turns taken by the PSTs, while there is little correlation between the number of turns and effectiveness at eliciting and responding to student thinking. The study also confirmed that some unproductive talk moves were still present in the lesson play context, although the PSTs had plenty of time to craft a script. This study drew implications of PSTs’ prior perceptions, experiences, knowledge, and needs in mathematics teacher education regarding the ways to create learning opportunities for them to elicit and respond to student thinking.
A Note on a Meshless Method for Fractional Laplacian at Arbitrary Irregular Meshes
Authors: García Ángel , Negreanu Mihaela , Ureña Francisco , Vargas Antonio M.
Published: November 2021

The existence and uniqueness of the discrete solutions of a porous medium equation with diffusion are demonstrated. The Cauchy problem contains a fractional Laplacian and it is equivalent to the extension formulation in the sense of trace and harmonic extension operators. By using the generalized finite difference method, we obtain the convergence of the numerical solution to the classical/theoretical solution of the equation for nonnegative initial data sufficiently smooth and bounded. This procedure allows us to use meshes with complicated geometry (more realistic) or with an irregular distribution of nodes (providing more accurate solutions where needed). Some numerical results are presented in arbitrary irregular meshes to illustrate the potential of the method.
A Comparative Numerical Study and Stability Analysis for a Fractional-Order SIR Model of Childhood Diseases
Authors: Mousa Mohamed M. , Alsharari Fahad
Published: November 2021

The objective of this work is to examine the dynamics of a fractional-order susceptible-infectious-recovered (SIR) model that simulate epidemiological diseases such as childhood diseases. An effective numerical scheme based on Grünwald–Letnikov fractional derivative is suggested to solve the considered model. A stability analysis is performed to qualitatively examine the dynamics of the SIR model. The reliability and robustness of the proposed scheme is demonstrated by comparing obtained results with results obtained from a fourth order Runge–Kutta built-in Maple syntax when considering derivatives of integer order. Graphical illustrations of the numerical results are given. The inaccuracy of some results presented in two studies exist in the literature have been clearly explained. Generalizing of the cases examined in another study, by considering a model with fraction-order derivatives, is another objective of this work as well.
Estimation of COVID-19 Transmission and Advice on Public Health Interventions
Authors: Ji Qingqing , Zhao Xu , Ma Hanlin , Liu Qing , Liu Yiwen , Guan Qiyue
Published: November 2021

At the end of 2019, an outbreak of the novel coronavirus (COVID-19) made a profound impact on the country’s production and people’s daily lives. Up until now, COVID-19 has not been fully controlled all over the world. Based on the clinical research progress of infectious diseases, combined with epidemiological theories and possible disease control measures, this paper establishes a Susceptible Infected Recovered (SIR) model that meets the characteristics of the transmission of the new coronavirus, using the least square estimation (LSE) method to estimate the model parameters. The simulation results show that quarantine and containment measures as well as vaccine and drug development measures can control the spread of the epidemic effectively. As can be seen from the prediction results of the model, the simulation results of the epidemic development of the whole country and Nanjing are in agreement with the real situation of the epidemic, and the number of confirmed cases is close to the real value. At the same time, the model’s prediction of the prevention effect and control measures have shed new light on epidemic prevention and control.
Characteristics and Short-Term Surgical Outcomes of Patients with Recurrent Lumbar Disc Herniation after Percutaneous Laser Disc Decompression
Authors: Terai Hidetomi , Tamai Koji , Iwamae Masayoshi , Kaneda Kunikazu , Katsuda Hiroshi , Shimada Nagakazu , Nakamura Hiroaki
Published: November 2021

Background and Objectives: Although percutaneous laser disc decompression (PLDD) is one of the common treatment methods for patients with lumbar disc herniation (LDH), the recurrence of LDH after PLDD is estimated at 4–5%. This study compares the preoperative clinical data and clinical outcomes of patients who underwent primary microendoscopic discectomy (MED) or MED following PLDD. Materials and Methods: We retrospectively analyzed 2678 patients who underwent MED for LDH. The PLDD group included patients with previous PLDD history at the same level of LDH, and a matched control group was created using propensity score matching for age, sex, and body mass index. Preoperative data, preoperative radiographic findings, and surgical data of the groups were compared. To compare postoperative changes in clinical scores between the groups, a mixed-effect model was used. Results: As a result, 42 patients (1.6%) had previously undergone PLDD, and a control group with 42 patients were created. The disc degeneration severity was not significantly different between the groups. However, Modic changes were more frequent in the PLDD group than in the matched control group (p = 0.028). There were no significant differences in dural adhesion rate or surgery-related complications including dural injury, length of stay, and recurrence rate of LDH after surgery. In addition, the improvement of clinical scores did not significantly differ between the two groups (p = 0.112, 0.913, respectively). Conclusions: We concluded that patients with recurrent LDH after PLDD have advanced endplate degeneration, which may reflect endplate injury from a previous PLDD. However, a previous history of PLDD does not have a negative impact on the clinical result of MED.
CO2/CH4 and H2/CH4 Gas Separation Performance of CTA-TNT@CNT Hybrid Mixed Matrix Membranes
Authors: Regmi Chhabilal , Ashtiani Saeed , Hrdlička Zdeněk , Friess Karel
Published: November 2021

This study explored the underlying synergy between titanium dioxide nanotube (TNT) and carbon nanotube (CNT) hybrid fillers in cellulose triacetate (CTA)-based mixed matrix membranes (MMMs) for natural gas purification. The CNT@TNT hybrid nanofillers were blended with CTA polymer and cast as a thin film by a facile casting technique, after which they were used for single gas separation. The hybrid filler-based membrane depicted a higher CO2 uptake affinity than the single filler (CNT/TNT)-based membrane. The gas separation results indicate that the hybrid fillers (TNT@CNT) are strongly selective for CO2 over CH4 and H2 over CH4. The increment in the CO2/CH4 and H2/CH4 selectivities compared to the pristine CTA membrane was 42.98 from 25.08 and 48.43 from 36.58, respectively. Similarly, the CO2 and H2 permeability of the CTA-TNT@CNT membrane increased by six- and five-fold, respectively, compared to the pristine CTA membrane. Such significant improvements in CO2/CH4 and H2/CH4 separation performance and thermal and mechanical properties suggest a feasible and practical approach for potential biogas upgrading and natural gas purification.
Microstructure Evolution and Solidification Behavior of a Novel Semi-Solid Alloy Slurry Prepared by Vibrating Contraction Inclined Plate
Authors: Liu Yan , Gao Minqiang , Fu Ying , Li Weirong , Yang Pan , Guan Renguo
Published: November 2021

In this work, based on the A356 alloy, a novel Al–Si–Mg–Cu–Fe–Sr alloy with good mechanical property and high thermal conductivity was developed. The semi-solid slurry of the alloy was prepared via the vibrating contraction inclined plate. The microstructure evolution and solidification behavior of the alloy were investigated. The results demonstrated that, compared with the A356 alloy, the enhanced property of the Al–Si–Mg–Cu–Fe–Sr alloy was associated with the size of primary α-Al grains and morphology of eutectic Si phases. In addition, the preparation process parameters of semi-solid slurries, including the pouring temperature, inclination angle, and vibration frequency, had a crucial effect on the size and morphology of primary α-Al grains. The optimized pouring temperature, inclination angle, and vibration frequency were 670 °C, 45°, and 60 Hz, respectively. In this condition, for the primary α-Al grains, a minimum grain diameter of 64.31 µm and a maximum shape factor of 0.80 were obtained. This work provides a reference for the application of the alloy with high performance in the field of automobile and communication.
Development and Evaluation of Alternative Methods to Identify the Three Most Common Serotypes of Salmonella enterica Causing Clinical Infections in Kazakhstan
Authors: Barmak Sabyrkhan M. , Sinyavskiy Yuriy A. , Berdygaliev Aidar B. , Sharmanov Turegeldy Sh. , Savitskaya Irina S. , Sultankulova Gulmira T. , Zholdybayeva Elena V.
Published: November 2021

In this study, we aimed to compare the performance of conventional PCR and real-time PCR assays as screening methods for identification of three frequent, clinically significant Salmonella serovars in Kazakhstan. We determined the diagnostic efficacy of three molecular methods for detection of S. enterica subsp. enterica and typing S. Typhimurium, S. Enteritidis, and S. Virchow. A total of 137 clinical samples and 883 food samples were obtained in Almaty in 2018–2019. All tests showed high analytical specificity for detecting S. enterica and its corresponding serovariants (100%). The sensitivity of real-time PCR for each of the tested targets was 1–10 microbial cells and in conventional PCR 10–100 microbial cells. The trials with conventional PCR and real-time PCR had a diagnostic efficacy (DE) of 100% and 99.71%, respectively. The DE of real-time PCR and conventional PCR for detecting S. Enteritidis and S. Typhimurium was 99.90%, while the DE of conventional PCR and real-time PCR for detecting S. Virchow was 99.31% and 99.80%, respectively. The RAPD-PCR analysis of the genomic DNA of Salmonella enterica showed the genetic kinship of S. Enteritidis isolates, and the genetic heterogeneity of S. Typhimurium and S. Virchow isolates. Thus, the developed methods can be considered as alternatives to classical serotyping using antisera.
Glyphosate Pollution Treatment and Microbial Degradation Alternatives, a Review
Authors: Castrejón-Godínez María Luisa , Tovar-Sánchez Efraín , Valencia-Cuevas Leticia , Rosas-Ramírez Marcos Eduardo , Rodríguez Alexis , Mussali-Galante Patricia
Published: November 2021

Glyphosate is a broad-spectrum herbicide extensively used worldwide to eliminate weeds in agricultural areas. Since its market introduction in the 70’s, the levels of glyphosate agricultural use have increased, mainly due to the introduction of glyphosate-resistant transgenic crops in the 90’s. Glyphosate presence in the environment causes pollution, and recent findings have proposed that glyphosate exposure causes adverse effects in different organisms, including humans. In 2015, glyphosate was classified as a probable carcinogen chemical, and several other human health effects have been documented since. Environmental pollution and human health threats derived from glyphosate intensive use require the development of alternatives for its elimination and proper treatment. Bioremediation has been proposed as a suitable alternative for the treatment of glyphosate-related pollution, and several microorganisms have great potential for the biodegradation of this herbicide. The present review highlights the environmental and human health impacts related to glyphosate pollution, the proposed alternatives for its elimination through physicochemical and biological approaches, and recent studies related to glyphosate biodegradation by bacteria and fungi are also reviewed. Microbial remediation strategies have great potential for glyphosate elimination, however, additional studies are needed to characterize the mechanisms employed by the microorganisms to counteract the adverse effects generated by the glyphosate exposure.
Mt10-CVB3 Vaccine Virus Protects against CVB4 Infection by Inducing Cross-Reactive, Antigen-Specific Immune Responses
Authors: Lasrado Ninaad , Arumugam Rajkumar , Rasquinha Mahima T. , Sur Meghna , Steffen David , Reddy Jay
Published: November 2021

Group B coxsackieviruses (CVB) containing six serotypes, B1–B6, affect various organs, and multiple serotypes can induce similar diseases such as myocarditis and pancreatitis. Yet, no vaccines are currently available to prevent these infections. Translationally, the derivation of vaccines that offer protection against multiple serotypes is highly desired. In that direction, we recently reported the generation of an attenuated strain of CVB3, termed Mt10, which completely protects against both myocarditis and pancreatitis induced by the homologous wild-type CVB3 strain. Here, we report that the Mt10 vaccine can induce cross-protection against multiple CVB serotypes as demonstrated with CVB4. We note that the Mt10 vaccine could induce cross-reactive neutralizing antibodies (nABs) against both CVB1 and CVB4. In challenge studies with CVB4, the efficacy of the Mt10 vaccine was found to be 92%, as determined by histological evaluation of the heart and pancreas. Antibody responses induced in Mt10/CVB4 challenged animals indicated the persistence of cross-reactive nABs against CVB1, CVB3, and CVB4. Evaluation of antigen-specific immune responses revealed viral protein 1 (VP1)-reactive antibodies, predominantly IgG2a, IgG2b, IgG3, and IgG1. Similarly, by using major histocompatibility complex class II tetramers, we noted induction of VP1-specific CD4 T cells capable of producing multiple T cell cytokines, with interferon-γ being predominant. Finally, none of the vaccine recipients challenged with CVB4 revealed the presence of viral nucleic acid in the heart or pancreas. Taken together, our data suggest that the Mt10 vaccine can prevent infections caused by multiple CVB serotypes, paving the way for the development of monovalent CVB vaccines to prevent heart and pancreatic diseases of enteroviral origin.
Different Wines from Different Yeasts? “Saccharomyces cerevisiae Intraspecies Differentiation by Metabolomic Signature and Sensory Patterns in Wine”
Authors: Bordet Fanny , Roullier-Gall Chloé , Ballester Jordi , Vichi Stefania , Quintanilla-Casas Beatriz , Gougeon Régis D. , Julien-Ortiz Anne , Kopplin Philippe Schmitt , Alexandre Hervé
Published: November 2021

Alcoholic fermentation is known to be a key stage in the winemaking process that directly impacts the composition and quality of the final product. Twelve wines were obtained from fermentations of Chardonnay must made with twelve different commercial wine yeast strains of Saccharomyces cerevisiae. In our study, FT-ICR-MS, GC-MS, and sensory analysis were combined with multivariate analysis. Ultra-high-resolution mass spectrometry (uHRMS) was able to highlight hundreds of metabolites specific to each strain from the same species, although they are characterized by the same technological performances. Furthermore, the significant involvement of nitrogen metabolism in this differentiation was considered. The modulation of primary metabolism was also noted at the volatilome and sensory levels. Sensory analysis allowed us to classify wines into three groups based on descriptors associated with white wine. Thirty-five of the volatile compounds analyzed, including esters, medium-chain fatty acids, superior alcohols, and terpenes discriminate and give details about differences between wines. Therefore, phenotypic differences within the same species revealed metabolic differences that resulted in the diversity of the volatile fraction that participates in the palette of the sensory pattern. This original combination of metabolomics with the volatilome and sensory approaches provides an integrative vision of the characteristics of a given strain. Metabolomics shine the new light on intraspecific discrimination in the Saccharomyces cerevisiae species.
The Participation of 3,3,3-Trichloro-1-nitroprop-1-ene in the [3 + 2] Cycloaddition Reaction with Selected Nitrile N-Oxides in the Light of the Experimental and MEDT Quantum Chemical Study
Authors: Zawadzińska Karolina , Ríos-Gutiérrez Mar , Kula Karolina , Woliński Przemysław , Mirosław Barbara , Krawczyk Tomasz , Jasiński Radomir
Published: November 2021

The regioselective zw-type [3 + 2] cycloaddition (32CA) reactions of a series of aryl-substituted nitrile N-oxides (NOs) with trichloronitropropene (TNP) have been both experimentally and theoretically studied within the Molecular Electron Density Theory (MEDT). Zwitterionic NOs behave as moderate nucleophiles while TNP acts as a very strong electrophile in these polar 32CA reactions of forward electron density flux, which present moderate activation Gibbs free energies of 22.8–25.6 kcal·mol−1 and an exergonic character of 28.4 kcal·mol−1 that makes them irreversible and kinetically controlled. The most favorable reaction is that involving the most nucleophilic MeO-substituted NO. Despite Parr functions correctly predicting the experimental regioselectivity with the most favorable O-CCCl3 interaction, these reactions follow a two-stage one-step mechanism in which formation of the O-C(CCl3) bond takes place once the C-C(NO2) bond is already formed. The present MEDT concludes that the reactivity differences in the series of NOs come from their different nucleophilic activation and polar character of the reactions, rather than any mechanistic feature.
Optimization of a Sustainable Protocol for the Extraction of Anthocyanins as Textile Dyes from Plant Materials
Authors: Gecchele Elisa , Negri Stefano , Cauzzi Anna , Cuccurullo Anna , Commisso Mauro , Patrucco Alessia , Anceschi Anastasia , Zaffani Giorgio , Avesani Linda
Published: November 2021

Anthocyanins are the largest group of polyphenolic pigments in the plant kingdom. These non-toxic, water-soluble compounds are responsible for the pink, red, purple, violet, and blue colors of fruits, vegetables, and flowers. Anthocyanins are widely used in the production of food, cosmetic and textile products, in the latter case to replace synthetic dyes with natural and sustainable alternatives. Here, we describe an environmentally benign method for the extraction of anthocyanins from red chicory and their characterization by HPLC-DAD and UPLC-MS. The protocol does not require hazardous solvents or chemicals and relies on a simple and scalable procedure that can be applied to red chicory waste streams for anthocyanin extraction. The extracted anthocyanins were characterized for stability over time and for their textile dyeing properties, achieving good values for washing fastness and, as expected, a pink-to-green color change that is reversible and can therefore be exploited in the fashion industry.
A Novel Alternative Methods for Decalcification of Water Resources Using Green Agro-Ashes
Authors: El-Nahas Safaa , Arafat Abdulrahem S. , El Din Hanan Salah , Alhamzani Abdulrahman G. , Abou-Krisha Mortaga M. , Alsoghier Hesham M.
Published: November 2021

The strategic idea in this work was to increase pH values by employing natural alkali sources (i.e., HCO3− and CO32−) from four tested agro-ashes as an alternative to chemicals (i.e., lime or soda ash). The considerable proportion of carbonates and bicarbonates in the investigated ash products had remarkable features, making them viable resources. All ash materials showed a significant ability for Ca ion elimination at high initial Ca ion concentrations. A slight quantity of ash (10 g/L) was sufficient for usage on very hard water contents up to 3000 ppm. Finally, the tested agro-ash was free of cost. Furthermore, unlike other conventional precipitants, such as NaOH, Ca(OH)2, NaHCO3, Na2CO3, and CaO, they are cost effective and ecologically sustainable. There is no need to employ any additional chemicals or modify the agro-ash materials throughout the treatment process. The benefits of the manufactured ash were assessed using a SWOT analysis.
Anharmonicity and Spectra–Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin K3)
Authors: Beć Krzysztof B. , Grabska Justyna , Huck Christian W. , Mazurek Sylwester , Czarnecki Mirosław A.
Published: November 2021

Mid-infrared (MIR) and near-infrared (NIR) spectra of crystalline menadione (vitamin K3) were measured and analyzed with aid of quantum chemical calculations. The calculations were carried out using the harmonic approach for the periodic model of crystal lattice and the anharmonic DVPT2 calculations applied for the single molecule model. The theoretical spectra accurately reconstructed the experimental ones permitting for reliable assignment of the MIR and NIR bands. For the first time, a detailed analysis of the NIR spectrum of a molecular system based on a naphthoquinone moiety was performed to elucidate the relationship between the chemical structure of menadione and the origin of the overtones and combination bands. In addition, the importance of these bands during interpretation of the MIR spectrum was demonstrated. The overtones and combination bands contribute to 46.4% of the total intensity of menadione in the range of 3600–2600 cm−1. Evidently, these bands play a key role in shaping of the C-H stretching region of MIR spectrum. We have shown also that the spectral regions without fundamentals may provide valuable structural information. For example, the theoretical calculations reliably reconstructed numerous overtones and combination bands in the 4000–3600 and 2800–1800 cm−1 ranges. These results, provide a comprehensive origin of the fundamentals, overtones and combination bands in the NIR and MIR spectra of menadione, and the relationship of these spectral features with the molecular structure.
Photoinduced Atom Transfer Radical Addition/Cyclization Reaction between Alkynes or Alkenes with Unsaturated α-Halogenated Carbonyls
Authors: Matsuo Kazuki , Yoshitake Tadashi , Yamaguchi Eiji , Itoh Akichika
Published: November 2021

We have developed a photochemical ATRA/ATRC reaction that is mediated by halogen bonding interactions. This reaction is caused by the reaction of malonic acid ester derivatives containing bromine or iodine with unsaturated compounds such as alkenes and alkynes in the presence of diisopropylethylamine under visible light irradiation. As a result of various control experiments, it was found that the formation of complexes between amines and halogens by halogen-bonding interaction occurs in the reaction system, followed by the cleavage of the carbon–halogen bonds by visible light, resulting in the formation of carbon radicals. In this reaction, a variety of substrates can be used, and the products, cyclopentenes and cyclopentanes, were obtained by intermolecular addition and intramolecular cyclization.
Enzymatic Pretreatment of Byproducts from Soapstock Splitting and Glycerol Processing for Improvement of Biogas Production
Authors: Borowski Sebastian , Cieciura-Włoch Weronika
Published: November 2021

This study investigated acid splitting wastewater (ASW) and interphase (IF) from soapstock splitting, as well as matter organic non glycerol (MONG) from glycerol processing, as potential substrates for biogas production. Batch and semicontinuous thermophilic anaerobic digestion experiments were conducted, and the substrates were preliminary treated using commercial enzymes kindly delivered by Novozymes A/C. The greatest enhancement in the batch digestion efficiency was achieved when three preparations; EversaTransform, NovoShape, and Lecitase were applied in the hydrolysis stage, which resulted in the maximum methane yields of 937 NL/kg VS and 915 NL/kg VS obtained from IF and MONG, respectively. The co-digestion of 68% ASW, 16% IF, and 16% MONG (wet weight basis) performed at an organic loading rate (OLR) of 1.5 kg VS/m3/day provided an average methane yield of 515 NLCH4/kg VSadded and a volatile solid reduction of nearly 95%. A relatively high concentration of sulfates in the feed did not significantly affect the digestion performance but resulted in an increased hydrogen sulfide concentration in the biogas with the peak of 4000 ppm.
Jeopardy of COVID-19: Rechecking the Perks of Phytotherapeutic Interventions
Authors: Saha Priyanka , Bose Subhankar , Srivastava Amit Kumar , Chaudhary Anis Ahmad , Lall Rajiv , Prasad Sahdeo
Published: November 2021

The novel coronavirus disease (COVID-19), the reason for worldwide pandemic, has already masked around 220 countries globally. This disease is induced by Severe Acute Respiratory Syndrome-Coronavirus-2 (SARS-CoV-2). Arising environmental stress, increase in the oxidative stress level, weak immunity and lack of nutrition deteriorates the clinical status of the infected patients. Though several researches are at its peak for understanding and bringing forward effective therapeutics, yet there is no promising solution treating this disease directly. Medicinal plants and their active metabolites have always been promising in treating many clinical complications since time immemorial. Mother nature provides vivid chemical structures, which act multi-dimensionally all alone or synergistically in mitigating several diseases. Their unique antioxidant and anti-inflammatory activity with least side effects have made them more effective candidate for pharmacological studies. These medicinal plants inhibit attachment, encapsulation and replication of COVID-19 viruses by targeting various signaling molecules such as angiotensin converting enzyme-2, transmembrane serine protease 2, spike glycoprotein, main protease etc. This property is re-examined and its potency is now used to improve the existing global health crisis. This review is an attempt to focus various antiviral activities of various noteworthy medicinal plants. Moreover, its implications as prophylactic or preventive in various secondary complications including neurological, cardiovascular, acute kidney disease, liver disease are also pinpointed in the present review. This knowledge will help emphasis on the therapeutic developments for this novel coronavirus where it can be used as alone or in combination with the repositioned drugs to combat COVID-19.
Molecular Dynamic Simulation Analysis on the Inclusion Complexation of Plumbagin with β-Cyclodextrin Derivatives in Aqueous Solution
Authors: Jitapunkul Kulpavee , Toochinda Pisanu , Lawtrakul Luckhana
Published: November 2021

Stable encapsulation of medically active compounds can lead to longer storage life and facilitate the slow-release mechanism. In this work, the dynamic and molecular interactions between plumbagin molecule with β-cyclodextrin (BCD) and its two derivatives, which are dimethyl-β-cyclodextrin (MBCD), and 2-O-monohydroxypropyl-β-cyclodextrin (HPBCD) were investigated. Molecular dynamics simulations (MD) with GLYCAM-06 and AMBER force fields were used to simulate the inclusion complex systems under storage temperature (4 °C) in an aqueous solution. The simulation results suggested that HPBCD is the best encapsulation agent to produce stable host–guest binding with plumbagin. Moreover, the observation of the plumbagin dynamic inside the binding cavity revealed that it tends to orient the methyl group toward the wider rim of HPBCD. Therefore, HPBCD is a decent candidate for the preservation of plumbagin with a promising longer storage life and presents the opportunity to facilitate the slow-release mechanism.
Barnase-Barstar Pair: Contemporary Application in Cancer Research and Nanotechnology
Authors: Shilova Olga , Kotelnikova Polina , Proshkina Galina , Shramova Elena , Deyev Sergey
Published: November 2021

Barnase is an extracellular ribonuclease secreted by Bacillus amyloliquefaciens that was originally studied as a small stable enzyme with robust folding. The identification of barnase intracellular inhibitor barstar led to the discovery of an incredibly strong protein-protein interaction. Together, barnase and barstar provide a fully genetically encoded toxin-antitoxin pair having an extremely low dissociation constant. Moreover, compared to other dimerization systems, the barnase-barstar module provides the exact one-to-one ratio of the complex components and possesses high stability of each component in a complex and high solubility in aqueous solutions without self-aggregation. The unique properties of barnase and barstar allow the application of this pair for the engineering of different variants of targeted anticancer compounds and cytotoxic supramolecular complexes. Using barnase in suicide gene therapy has also found its niche in anticancer therapy. The application of barnase and barstar in contemporary experimental cancer therapy is reflected in the review.
Valorization Potentials of Rapeseed Meal in a Biorefinery Perspective: Focus on Nutritional and Bioactive Components
Authors: Di Lena Gabriella , Sanchez del Pulgar Jose , Lucarini Massimo , Durazzo Alessandra , Ondrejíčková Petra , Oancea Florin , Frincu Rodica-Mihaela , Aguzzi Altero , Ferrari Nicoli Stefano , Casini Irene , Gabrielli Paolo , Caproni Roberto , Červeň Igor , Lombardi-Boccia Ginevra
Published: November 2021

Rapeseed meal (RSM), a by-product of oilseed extraction connected to the agri-food and biofuel sectors, is currently used as animal feed and for other low-value purposes. With a biorefinery approach, RSM could be valorized as a source of bio-based molecules for high-value applications. This study provides a chemical characterization of RSM in the perspective of its valorization. A qualitative study of main functional groups by fourier transform infrared (FTIR) spectroscopy was integrated with a chemical characterization of macronutrients, minerals by inductively coupled plasma optical emission spectrometry (ICP-OES), phenolic acids and lipid components by high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS), HPLC-diode-array detector (HPLC-DAD) and gas chromatography-mass spectrometry/flame ionization detector (GC-MS/FID). The study, conducted on different lots of RSM collected over a one-year period from an oil pressing factory serving a biofuel biorefinery, highlighted a constant quality over time of RSM, characterized by high protein (31–34%), fiber (33–40%) and mineral (5.5–6.8%) contents. Polyphenol extracts showed a significant antioxidant activity and a prevalence of sinapic acid, accounting for more than 85% of total phenolic acids (395–437 mg kg−1 RSM). Results highlight the potentialities of RSM for further valorization strategies that may lead to the creation of new cross-sector interconnections and bio-based value chains with improvement of the economics and sustainability of the bioeconomy sectors involved.
Application of Inductively Coupled Plasma Spectrometric Techniques and Multivariate Statistical Analysis in the Hydrogeochemical Profiling of Caves—Case Study Cloșani, Romania
Authors: Torok Anamaria Iulia , Levei Erika Andrea , Constantin Silviu , Moldovan Oana Teodora , Senila Marin , Cadar Oana , Casoni Dorina , Angyus Simion Bogdan , Tanaselia Claudiu , Covaci Eniko , Frentiu Tiberiu
Published: November 2021

The aim of the study was to develop the hydrogeochemical profiling of caves based on the elemental composition of water and silty soil samples and a multivariate statistical analysis. Major and trace elements, including rare earths, were determined in the water and soil samples. The general characteristics of water, anions content, inorganic and organic carbon fractions and nitrogen species (NO3− and NH4+) were also considered. The ANOVA—principal component analysis (PCA) and two-way joining analysis were applied on samples collected from Cloșani Cave, Romania. The ANOVA-PCA revealed that the hydrogeochemical characteristics of Ca2+-HCO3− water facies were described by five factors, the strongest being associated with water-carbonate rock interactions and the occurrence of Ca, Mg and HCO3− (43.4%). Although organic carbon fractions have a lower influence (20.1%) than inorganic ones on water characteristics, they are involved in the chemical processes of nitrogen and of the elements involved in redox processes (Fe, Mn, Cr and Sn). The seasonal variability of water characteristics, especially during the spring, was observed. The variability of silty soil samples was described by four principal components, the strongest influence being attributed to rare earth elements (52.2%). The ANOVA-PCA provided deeper information compared to Gibbs and Piper diagrams and the correlation analysis.
Hunting Bioactive Molecules from the Agave Genus: An Update on Extraction and Biological Potential
Authors: Bermúdez-Bazán Misael , Castillo-Herrera Gustavo Adolfo , Urias-Silvas Judith Esmeralda , Escobedo-Reyes Antonio , Estarrón-Espinosa Mirna
Published: November 2021

Agaves are plants used in the production of alcoholic beverages and fibers. Ever since ancient times, pre-Hispanic cultures in Mexico have used them in traditional medicine to cure different ailments. Over the years, studies of the active principles responsible for the therapeutic benefits of agaves have increased. Leaves and fibers are the main agro-wastes generated in tequila and mezcal production, while fibers are the main waste product in the textile sector. Different investigations have referred to the agro-waste from agave processing as a source of bioactive molecules called secondary metabolites (SM). Among them, phenols, flavonoids, phytosterols, and saponins have been extracted, identified, and isolated from these plants. The role of these molecules in pest control and the prospect of metabolites with the biological potential to develop novel drugs for chronic and acute diseases represent new opportunities to add value to these agro-wastes. This review aims to update the biological activities and recent applications of the secondary metabolites of the genus Agave.
Co-N-Si/AC Catalyst for Aerobic Oxidation of Benzyl Alcohols to Esters under Mild Conditions
Authors: Zhou Changjian , Sun Rong , Zhang Yuting , Xiong Biao , Dai Hui , Dai Yong
Published: November 2021

A stable, earth-abundant, reusable cobalt-based heterogeneous catalyst is developed for the oxidative esterification of alcohols under ambient conditions, featuring broad substrate scope, providing good to excellent product yields. This protocol enables easy recyclability of the catalyst, measured up to five times without significant loss of efficiency. The active sites of Co-N-Si/AC are proposed to be Co-N species.
Glutamate Dehydrogenase Functions in Glutamic Acid Metabolism and Stress Resistance in Pyropia haitanensis
Authors: Li Shuang , Shao Zhanru , Lu Chang , Yao Jianting , Zhou Yongdong , Duan Delin
Published: November 2021

Pyropia haitanensis is an important laver species in China. Its quality traits are closely related to the content of glutamic acid. Glutamate dehydrogenase (GDH) is a crucial enzyme in the glutamic acid metabolism. In this study, two GDH genes from P. haitanensis, PhGDH1 and PhGDH2, were cloned and successfully expressed in Escherichia coli. The in vitro enzyme activity assay demonstrated that the catalytic activity of PhGDHs is mainly in the direction of ammonium assimilation. The measured Km values of PhGDH1 for NADH, (NH4)2SO4, and α-oxoglutarate were 0.12, 4.99, and 0.16 mM, respectively, while the corresponding Km values of PhGDH2 were 0.02, 3.98, and 0.104 mM, respectively. Site-directed mutagenesis results showed that Gly193 and Thr361 were important catalytic residues for PhGDH2. Moreover, expression levels of both PhGDHs were significantly increased under abiotic stresses. These results suggest that PhGDHs can convert α-oxoglutarate to glutamic acid, and enhance the flavor and stress resistance of P. haitanensis.
Strategies Using Gelatin Microparticles for Regenerative Therapy and Drug Screening Applications
Authors: Nii Teruki
Published: November 2021

Gelatin, a denatured form of collagen, is an attractive biomaterial for biotechnology. In particular, gelatin particles have been noted due to their attractive properties as drug carriers. The drug release from gelatin particles can be easily controlled by the crosslinking degree of gelatin molecule, responding to the purpose of the research. The gelatin particles capable of drug release are effective in wound healing, drug screening models. For example, a sustained release of growth factors for tissue regeneration at the injured sites can heal a wound. In the case of the drug screening model, a tissue-like model composed of cells with high activity by the sustained release of drug or growth factor provides reliable results of drug effects. Gelatin particles are effective in drug delivery and the culture of spheroids or cell sheets because the particles prevent hypoxia-derived cell death. This review introduces recent research on gelatin microparticles-based strategies for regenerative therapy and drug screening models.
Ultrafast Quenching of Excitons in the ZnxCd1−xS/ZnS Quantum Dots Doped with Mn2+ through Charge Transfer Intermediates Results in Manganese Luminescence
Authors: Cherepanov Dmitry , Kostrov Andrei , Gostev Fedor , Shelaev Ivan , Motyakin Mikhail , Kochev Sergei , Kabachii Yuriy , Nadtochenko Victor
Published: November 2021

For the first time, a specific time-delayed peak was registered in the femtosecond transient absorption (TA) spectra of ZnxCd1−xS/ZnS (x~0.5) alloy quantum dots (QDs) doped with Mn2+, which was interpreted as the electrochromic Stark shift of the band-edge exciton. The time-delayed rise and decay kinetics of the Stark peak in the manganese-doped QDs significantly distinguish it from the kinetics of the Stark peak caused by exciton–exciton interaction in the undoped QDs. The Stark shift in the Mn2+-doped QDs developed at a 1 ps time delay in contrast to the instantaneous appearance of the Stark shift in the undoped QDs. Simultaneously with the development of the Stark peak in the Mn2+-doped QDs, stimulated emission corresponding to 4T1-6A1 Mn2+ transition was detected in the subpicosecond time domain. The time-delayed Stark peak in the Mn2+-doped QDs, associated with the development of an electric field in QDs, indicates the appearance of charge transfer intermediates in the process of exciton quenching by manganese ions, leading to the ultrafast Mn2+ excitation. The usually considered mechanism of the nonradiative energy transfer from an exciton to Mn2+ does not imply the development of an electric field in a QD. Femtosecond TA data were analyzed using a combination of empirical and computational methods. A kinetic scheme of charge transfer processes is proposed to explain the excitation of Mn2+. The kinetic scheme includes the reduction of Mn2+ by a 1Se electron and the subsequent oxidation of Mn1+ with a hole, leading to the formation of an excited state of manganese.