bluuebunny/crossref_metadata_2025 huggingface dataset:
Land Use Change Net Removals Associated with Sugarcane in Brazil
Authors: Guarenghi Marjorie M. , Garofalo Danilo F. T. , Seabra Joaquim E. A. , Moreira Marcelo M. R. , Novaes Renan M. L. , Ramos Nilza Patrícia , Nogueira Sandra F. , de Andrade Cristiano A.
Published: March 2023

This work brings a refined estimation of the land use change and derived CO2 emissions associated with sugarcane cultivation, including changes in management practices and refined land-use carbon stocks, over the last two decades for Brazil’s center–south and north regions. The analysis was carried out at the rural property level, considering spatially explicit land conversion data. With the refinements, we found a net carbon removal of 9.8 TgCO2∙yr−1 in sugarcane cultivation areas in the 2000–2020 period, which was due to the expansion of sugarcane over poor quality pastures (55% of the gross removals), croplands (15%) and mosaic (14%) areas, and the transition from the conventional burned harvesting to unburned (16%). Moreover, 98.4% of expansion was over existent agricultural areas. Considering all the land use changes within sugarcane-producing rural properties, the net removal is even larger, of 17 TgCO2∙yr−1, which is due to vegetation recovery. This suggests that public policies and private control mechanisms might have been effective not only to control deforestation but also to induce carbon removals associated with sugarcane cultivation. These results indicate sugarcane production system and derived products as contributors to net carbon removals in the land sector in Brazil and should be considered for both bioenergy and agricultural sustainability evaluation.
Urban Areas as Potential Sinks for Tropical Swallowtail Moth Lyssa zampa
Authors: Jain Anuj , Ng Lin Yu , Sivasothi N
Published: March 2023

(1) The tropical swallowtail moth Lyssa zampa received much public attention during its years of mass emergence in Singapore and Southeast Asia. However, despite its prominence, little is known about its population demographics and spatial ecology. This study aims to establish the annual abundance of L. zampa, determine its spatial patterns of occurrence, and examine morphological variation demonstrated by L. zampa with an emphasis on comparing urban vs. forest areas in Singapore. (2) Various sources (field surveys across 18 sites, citizen science datasets and expert knowledge) were used to catalogue L. zampa records from 2011 to 2020 and analyse its seasonal abundance. (3) We confirmed the seasonal peak of L. zampa emergence to be between May and July, with an unusually high mass emergence in 2014. The intensity of emergence was associated with the intensity of a dry spell in February of that year. The total number of L. zampa sighted in urban areas was higher despite the moth’s host plant being a tree that is restricted to mature forests and is absent from urban areas. This suggests that the occurrence of L. zampa in urban areas is likely due to the moth’s attraction to bright city lights. Our morphometric measurements further show that L. zampa individuals in urban areas have greater wing length and lighter body weights (smaller body widths) than their forest counterparts. (4) This implies that urban areas are not only drawing moths that are unable to find the host plants and, therefore, cannot produce offspring but are also attracting larger and better flyers out of forest areas. This situation is only likely to worsen as climate change intensifies and dry spells become longer and more intense.
What Sentence Repetition Tasks Can Reveal about the Processing Effort Associated with Different Types of Code-Switching
Authors: Hofweber Julia , Marinis Theodoros
Published: March 2023

In this study, we explored the linguistic consolidation processes associated with bilingual processing using an experimental paradigm novel in bilingualism research, i.e., sentence repetition. We tested 46 L1-German L2-English bilinguals immersed in the L2 context. Firstly, we compared participants’ sentence repetition accuracy in single-language sentences and in sentences involving code-switches. Secondly, we investigated the processing cost associated with different types of code-switching, i.e., alternation, insertion, and dense code-switching. Finally, we assessed the following potential predictors of repetition accuracy: regular usage of different code-switching types, executive functions (working memory and inhibitory control), as well as relevant bilingualism variables (proficiency, dominance, and immersion). Our first finding was that bilinguals displayed reduced repetition accuracy in sentences involving code-switches compared to single-language sentences, but only when the single-language sentences were in the participants’ L1. This suggests that any processing costs associated with code-switching are modulated by bilinguals’ language background. Moreover, bilinguals’ poor performance in L2 compared to L1 single-language sentences, despite reporting high levels of L2 exposure frequency, highlights the importance of age of acquisition and dominance profiles for language processing. In terms of code-switching, our results revealed that bilinguals’ repetition accuracy differed across different types of code-switching. The processing effort associated with different types of code-switching in the sentence repetition task was primarily driven by the structural depth and the degree of mixing of the involved code-switch, i.e., dense forms of code-switching involving high levels of linguistic co-activation were harder to repeat than alternations involving unintegrated language switching. This effect partially converged with bilinguals’ sociolinguistic practices because bilinguals also reported lower exposure frequency to dense code-switching, but no direct correlations were observed at the level of individual differences. In terms of general cognitive functions, repetition accuracy was modulated by working memory but not by inhibitory control. By investigating this issue, we hope to contribute to our understanding of language processing in the face of cross-linguistic consolidation processes.
Efficacy and Satisfaction of Low Doses UVA1 Phototherapy: A Spanish Experience from a Single Centre
Authors: Velasco-Amador Juan Pablo , Linares-Gonzalez Laura , De la Torre-Gomar Francisco Javier
Published: March 2023

Background: UVA1 phototherapy is a treatment used for multiple dermatological conditions. The optimal therapeutic regimens and dosing of UVA1 are a matter of debate. The dosages used vary widely between published studies and there are no evidence-based protocols that provide data on dosage, duration, or the role of maintenance therapy. The purpose of this study is to evaluate the experience in our medical center regarding treatment with UVA1, as well as the degree of patient satisfaction with the treatment according to their pathology. Methods: We present a retrospective evaluation of outcomes, treatment tolerability, and satisfaction in adult patients using a low dose of UVA1 phototherapy, administered in our dermatologic service between 2019 and 2022. Results: A total of 78 patients were treated with UVA1, of whom 46 patients (59%) were over 18 years old, completed treatment, and gave their consent. The overall objective clinical response rate was 91.30% (42/46), achieving a complete response in 17 (36.96%) patients, partial response in 25 (54.34%), and no response in 4 (8.70%). The complete response rates recorded were high in morphea, scleredema, or chronic hand eczema. In terms of the level of satisfaction objectively measured by TSQM-9 version 1.4, highlighting high scores obtained in mastocytosis, systemic sclerosis, morphea, scleredema, chronic hand eczema, or prurigo nodularis (over 65 points). Conclusions: We present a review of treatment with UVA1 phototherapy at low doses with good response in a wide variety of dermatological pathologies.
Obstructive Sleep Apnea as a Predictor of a Higher Risk of Significant Coronary Artery Disease Assessed Non-Invasively Using the Calcium Score
Authors: Macek Piotr , Michałek-Zrąbkowska Monika , Dziadkowiec-Macek Barbara , Poręba Małgorzata , Martynowicz Helena , Mazur Grzegorz , Gać Paweł , Poręba Rafał
Published: March 2023

The aim of this study was to assess the coronary artery calcium score in patients with obstructive sleep apnea (OSA). The study group (group A) consisted of 62 patients with diagnosed obstructive sleep apnea (mean age: 59.12 ± 9.09 years, mean AHI index in polysomnography: 20.44 ± 13.22/h), and 62 people without diagnosed obstructive sleep apnea (mean age 59.50 ± 10.74 years) constituted the control group (group B). The risk of significant coronary artery disease was assessed in all patients, based on the measurement of the coronary artery calcium score (CACS) using computed tomography. The following cut-off points were used to assess the risk of significant coronary artery disease: CACS = 0—no risk, CACS 1–10—minimal risk, CACS 11–100—low risk, CACS 101–400—moderate risk, and CACS > 400—high risk. Group A was characterized by statistically significantly higher CACS than group B (550.25 ± 817.76 vs. 92.59 ± 164.56, p < 0.05). No risk of significant coronary artery disease was statistically significantly less frequent in group A than in group B (0.0% vs. 51.6%, p < 0.05). A high risk of significant coronary artery disease was statistically significantly more frequent in group A than in group B (40.3% vs. 4.8%, p < 0.05). In group A, patients with severe OSA and patients with moderate OSA had statistically significantly higher CACS than patients with mild OSA (910.04 ± 746.31, 833.35 ± 1129.87, 201.66 ± 192.04, p < 0.05). A statistically significant positive correlation was found between the AHI and CACS (r = 0.34, p < 0.05). The regression analysis showed that OSA, male gender, older age, type 2 diabetes, peripheral arterial disease, and smoking were independent risk factors for higher CACS values. AHI ≥ 14.9 was shown to be a predictor of a high risk of significant coronary artery disease with a sensitivity and specificity of 62.2% and 80.0%, respectively. In summary, obstructive sleep apnea should be considered an independent predictive factor of a high risk of significant coronary artery disease (based on the coronary artery calcium score).
Methods and Applications in Proteins and RNAs
Authors: Liu Haoquan , Gong Zhou , Zhao Yunjie
Published: March 2023

Proteins and RNAs are primary biomolecules that are involved in most biological processes [...]
Effect of Temperature and Impurity Content to Control Corrosion of 316 Stainless Steel in Molten KCl-MgCl2 Salt
Authors: Li Na , Wang Huaiyou , Yin Huiqin , Liu Qi , Tang Zhongfeng
Published: March 2023

The corrosion resistance of 316 stainless steel (316SS) in molten KCl-MgCl2 salts was studied through static immersion corrosion at high temperatures. Below 600 °C, the corrosion rate of 316SS increased slowly with increasing temperature. When the salt temperature rises to 700 °C, the corrosion rate of 316SS increases dramatically. The corrosion of 316SS is mainly due to the selective dissolution of Cr and Fe at high temperatures. The impurities in molten KCl-MgCl2 salts could accelerate the dissolution of Cr and Fe atoms in the grain boundary of 316SS, and purification treatment can reduce the corrosivity of KCl-MgCl2 salts. Under the experimental conditions, the diffusion rate of Cr/Fe in 316SS changed more with temperature than the reaction rate of salt impurities with Cr/Fe.
Numerical Study on the Orthogonality of the Fields Radiated by an Aperture
Authors: Polo-López Lucas , Córcoles Juan , Ruiz-Cruz Jorge A. , Montejo-Garai José R. , Rebollar Jesús M.
Published: March 2023

This work studies the orthogonality of the fields radiated by the different modes of a radiating aperture. Waveguide modes exhibit an orthogonality property at the aperture cross-section that can be used to simplify calculations. However, it is unclear whether this property can be extended to the radiated fields produced by these same modes in apertures antennas, such as horns or open-ended waveguides. A numerical study has been carried out, analysing how the waveguide orthogonality extends to the radiated modal fields. It is observed that propagating modes and also modes that are well below cutoff follow this same behaviour. However, modes that are close to cutoff exhibit values in between those far from this transition region.
High-Order Approximation to Generalized Caputo Derivatives and Generalized Fractional Advection–Diffusion Equations
Authors: Kumari Sarita , Pandey Rajesh K. , Agarwal Ravi P.
Published: March 2023

In this article, a high-order time-stepping scheme based on the cubic interpolation formula is considered to approximate the generalized Caputo fractional derivative (GCFD). Convergence order for this scheme is (4−α), where α(0<α<1) is the order of the GCFD. The local truncation error is also provided. Then, we adopt the developed scheme to establish a difference scheme for the solution of the generalized fractional advection–diffusion equation with Dirichlet boundary conditions. Furthermore, we discuss the stability and convergence of the difference scheme. Numerical examples are presented to examine the theoretical claims. The convergence order of the difference scheme is analyzed numerically, which is (4−α) in time and second-order in space.
Assessing Liver Fibrosis Using 2D-SWE Liver Ultrasound Elastography and Dynamic Liver Scintigraphy with 99mTc-mebrofenin: A Comparative Prospective Single-Center Study
Authors: Jocius Donatas , Vajauskas Donatas , Samuilis Artūras , Mikelis Kipras , Jokubauskiene Skirmante , Strupas Kestutis , Tamosiunas Algirdas E.
Published: March 2023

Background and Objectives: Many quantitative imaging modalities are available that quantify chronic liver disease, although only a few of them are included in clinical guidelines. Many more imaging options are still competing to find their place in the area of diagnosing chronic liver disease. We report our first prospective single-center study evaluating different imaging modalities that stratify viral hepatitis-associated liver fibrosis in a treatment-naïve patient group. Materials and Methods: The aim of our study is to compare and to combine already employed 2D shear wave elastography (2D-SWE) with dynamic liver scintigraphy with 99mTc-mebrofenin in chronic viral hepatitis patients for the staging of liver fibrosis. Results: Seventy-two patients were enrolled in the study. We found that both 2D-SWE ultrasound imaging, with dynamic liver scintigraphy with 99mTc-mebrofenin are able to stratify CLD patients into different liver fibrosis categories based on histological examination findings. We did not find any statistically significant difference between these imaging options, which means that dynamic liver scintigraphy with 99mTc-mebrofenin is not an inferior imaging technique. A combination of these imaging modalities showed increased accuracy in the non-invasive staging of liver cirrhosis. Conclusions: Our study presents that 2D-SWE and dynamic liver scintigraphy with 99mTc-mebrofenin could be used for staging liver fibrosis, both in singular application and in a combined way, adding a potential supplementary value that represents different aspects of liver fibrosis in CLD.
The Association of Prostate Cancer and Urinary Tract Infections: A New Perspective of Prostate Cancer Pathogenesis
Authors: Pan Szu-Ying , Chen Wen-Chi , Huang Chi-Ping , Hsu Chung Y. , Chang Yi-Huei
Published: March 2023

Background and objectives: Microbiota of the urinary tract may be associated with urinary tract malignancy, including prostate cancer. Materials and Methods: We retrospectively collected patients with newly diagnosed prostate cancer and subjects without prostate cancer from the National Health Insurance Research Database (NHIRD) in Taiwan between 1 January 2000 and 31 December 2016. A total of 5510 subjects were recruited and followed until the diagnosis of a primary outcome (urinary tract infection, pyelonephritis, cystitis, and prostatitis). Results: We found that the patients with prostate cancer had a significantly higher risk of urinary tract infections than those without prostate cancer. The adjusted hazard ratios for pyelonephritis, prostatitis, and cystitis were 2.30 (95% CI = 1.36–3.88), 2.04 (95% CI = 1.03–4.05), and 4.02 (95 % CI = 2.11–7.66), respectively. We clearly identified the sites of infection and associated comorbidities in the prostate cancer patients with urinary tract infections. In addition, we found that the patients receiving radiotherapy and androgen deprivation therapy had a lower risk of urinary tract infections than the patients in corresponding control groups. Conclusions: Our study suggests that an abnormal urine microbiome could potentially contribute to the development of prostate cancer through inflammation and immune dysregulation. Furthermore, an imbalanced microbiome may facilitate bacterial overgrowth in urine, leading to urinary tract infections. These findings have important implications for the diagnosis and treatment of prostate cancer. Further research is needed to better understand the role of the urine microbiome in prostate cancer pathogenesis and to identify potential microbiome-targeted therapies for the prevention and treatment of prostate cancer.
Polydimethylsiloxane (PDMS) Membrane for Separation of Soluble Toluene by Pervaporation Process
Authors: Rasheed Salam H. , Ibrahim Salah S. , Alsalhy Qusay F. , Majdi Hasan Sh.
Published: March 2023

A commercial polydimethylsiloxane (PDMS) membrane was employed to separate the soluble toluene compounds (C7H8) from an aqueous solution via the pervaporation (PV) process. The performance and the efficacy of the PDMS PV membrane were evaluated through the estimation of the permeation flux and separation factor under various operating parameters. The response surface method (RSM) built in the Minitab-18 software was used for the design of the experiment in this study, and the responses of the permeation flux and the separation factor were analyzed and optimized based on the operating conditions. A nonlinear regression analysis was applied to the experimental output and input, and as a result, a quadratic equation model with parameters interactions was obtained as mathematical expressions to predict the permeation flux and separation factor. At the optimal conditions of temperature 30 °C, initial toluene concentration 500 ppm, and feed flowrate 3.5 L/min, the toluene permeation flux and separation factor were 125.855 g/m2·h and 1080, respectively. The feed concentration was the most impactful and significant in the improvement of the permeation flux and separation factor of the PDMS membrane.
On the Mechanism of Membrane Permeabilization by Tamoxifen and 4-Hydroxytamoxifen
Authors: Ortiz Julia , Teruel José A. , Aranda Francisco J. , Ortiz Antonio
Published: March 2023

Tamoxifen (TMX), commonly used in complementary therapy for breast cancer, also displays known effects on the structure and function of biological membranes. This work presents an experimental and simulation study on the permeabilization of model phospholipid membranes by TMX and its derivative 4-hydroxytamoxifen (HTMX). TMX induces rapid and extensive vesicle contents leakage in phosphatidylcholine (PC) liposomes, with the effect of HTMX being much weaker. Fitting of the leakage curves for TMX, yields two rate constants, corresponding to a fast and a slow process, whereas in the case of HTMX, only the slow process takes place. Interestingly, incorporation of phosphatidylglycerol (PG) or phosphatidylethanolamine (PE) protects PC membranes from TMXinduced permeabilization. Fourier-transform infrared spectroscopy (FTIR) shows that, in the presence of TMX there is a shift in the νCH2 band frequency, corresponding to an increase in gauche conformers, and a shift in the νC=O band frequency, indicating a dehydration of the polar region. A preferential association of TMX with PC, in mixed PC/PE systems, is observed by differential scanning calorimetry. Molecular dynamics (MD) simulations support the experimental results, and provide feasible explanations to the protecting effect of PG and PE. These findings add new information to explain the various mechanisms of the anticancer actions of TMX, not related to the estrogen receptor, and potential side effects of this drug.
Circularly Polarized Textile Sensors for Microwave-Based Smart Bra Monitoring System
Authors: Elsheakh Dalia N. , Elgendy Yasmine K. , Elsayed Mennatullah E. , Eldamak Angie R.
Published: March 2023

This paper presents a conformal and biodegradable circularly polarized microwave sensor (CPMS) that can be utilized in several medical applications. The proposed textile sensor can be implemented in a Smart Bra system for breast cancer detection (BCD) and a wireless body area network (WBAN). The proposed sensor is composed of a wideband circularly polarized (CP) textile-based monopole antenna with an overall size of 33.5 × 33.5 mm2 (0.2 λo × 0.2 λo) and CPW feed line. The radiating element and ground are fabricated using silver conductive fabric and stitched to a cotton substrate of thickness 2 mm. In the proposed design, a slot is etched in the radiating element to extend bandwidth from 1.8 to 8 GHz at |S11| ≤ −10 dB. It realizes a circularly polarized output with AR ≤ 3 dB operation band from 1.8 to 4 GHz and an average gain of 6 dBi. The proposed CPMS’s performance is studied both off-body (air) and on-body in proximity to breast models with and without tumors using near-field microwave imaging. Moreover, the axial ratio is recorded as a feature for a circularly polarized antenna and adds another degree of freedom for cancer detection and data analysis. It assists in detecting tumors in the breast by analyzing the magnitude of the electric field components in vertical and horizontal directions. Finally, the radiation properties are recorded, as well as the specific absorption rate (SAR), to ensure safe operation. The proposed CPMS covers a bandwidth of 1.8–8 GHz with SAR values following the 1 g and 10 g standards. The proposed work demonstrates the feasibility of using textile antennas in wearables, microwave sensing systems, and wireless body area networks (WBANs).
Synthesis of 4-Amino-N-[2 (diethylamino)Ethyl]Benzamide Tetraphenylborate Ion-Associate Complex: Characterization, Antibacterial and Computational Study
Authors: Mostafa Gamal A. E. , Bakheit Ahmed H. , Al-Agamy Mohamed H. , Al-Salahi Rashad , Ali Essam A. , Alrabiah Haitham
Published: March 2023

The 4-amino-N-[2 (diethylamino) ethyl] benzamide (procainamide)-tetraphenylborate complex was synthesized by reacting sodium tetraphenyl borate with 4-amino-N-[2 (diethylamino) ethyl] benzamide, chloride salt, and procainamide in deionized water at room temperature through an ion-associate reaction (green chemistry) at room temperature, and characterized by several physicochemical methods. The formation of ion-associate complex between bio-active molecules and/or organic molecules is crucial to comprehending the relationships between bioactive molecules and receptor interactions. The solid complex was characterized by infrared spectra, NMR, elemental analysis, and mass spectrometry, indicating the formation of ion-associate or ion-pair complex. The complex under study was examined for antibacterial activity. The ground state electronic characteristics of the S1 and S2 complex configurations were computed using the density functional theory (DFT) approach, using B3LYP level 6-311 G(d,p) basis sets. R2 = 0.9765 and 0.9556, respectively, indicate a strong correlation between the observed and theoretical 1H-NMR, and the relative error of vibrational frequencies for both configurations was acceptable, as well. HOMO and LUMO frontier molecular orbitals and molecular electrostatics using the optimized were used to obtain a potential map of the chemical. The n → π* UV absorption peak of the UV cutoff edge was detected for both configurations of the complex. Spectroscopic methods were structures used to characterize the structure (FT-IR and 1HNMR). In the ground state, DFT/B3LYP/6-311G(d,p) basis sets were used to determine the electrical and geometric properties of the S1 and S2 configurations of the title complex. Comparing the observed and calculated values for the S1 and S2 forms, the HOMO-LUMO energy gap of compounds was 3182 and 3231 eV, respectively. The small energy gap between HOMO and LUMO indicated that the compound was stable. In addition, the MEP reveals that positive potential sites were around the PR molecule, whereas negative potential sites were surrounding the TPB site of atoms. The UV absorption of both arrangements is comparable to the experimental UV spectrum.
Direct Synthesis of Polyethylene Thermoplastic Elastomers Using Hybrid Bulky Acenaphthene-Based α-Diimine Ni(II) Catalysts
Authors: Wang Hui , Lu Weiqing , Zou Mingmin , Dai Shengyu
Published: March 2023

Recently, polyolefin thermoplastic elastomers can be obtained directly using ethylene as a single feedstock via α-diimine nickel-catalyzed ethylene chain walking polymerization. Here, a new range of bulky acenaphthene-based α-diimine nickel complexes with hybrid o-phenyl and -diarylmethyl anilines were constructed and applied to ethylene polymerization. All the nickel complexes under the activation of excess Et2AlCl exhibited good activity (level of 106 g mol−1 h−1) and produced polyethylene with high molecular weight (75.6–352.4 kg/mol) as well as proper branching densities (55–77/1000C). All the branched polyethylenes obtained exhibited high strain (704–1097%) and moderate to high stress (7–25 MPa) at break values. Most interestingly, the polyethylene produced by the methoxy-substituted nickel complex exhibited significantly lower molecular weights and branching densities, as well as significantly poorer strain recovery values (48% vs. 78–80%) than those by the other two complexes under the same conditions.
The Contribution of Theoretical Prediction Studies to the Antioxidant Activity Assessment of the Bioactive Secoiridoids Encountered in Olive Tree Products and By-Products
Authors: Nenadis Nikolaos , Pyrka Ioanna , Tsimidou Maria Z.
Published: March 2023

Assessment of the antioxidant activity of different types of natural compounds is a complex research area that encompasses various in vitro tests and in vivo studies. Sophisticated modern analytical tools permit the unambiguous characterization of the compounds present in a matrix. The contemporary researcher, knowing the chemical structure of the compounds present, can carry out quantum chemical calculations that provide important physicochemical information assisting the prediction of antioxidant potential and the mechanism behind the activity of target compounds before further experimentation. The efficiency of calculations is steadily improved due to the rapid evolution of both hardware and software. It is possible, consequently, to study compounds of medium or even larger size, incorporating also models that simulate the liquid phase (solution). This review contributes to the establishment of theoretical calculations as an inherent part of the antioxidant activity assessment process, having as a case study the complex mixtures of olive bioactive secoiridoids (oleuropein, ligstroside, and related compounds). The literature indicates great variability in theoretical approaches and models used so far for only a limited number of this group of phenolic compounds. Proposals are made for standardization of methodology (reference compounds, DFT functional, basis set size, and solvation model) to facilitate comparisons and communication of findings.
Phenolic Profile, Antioxidant Activity, and Chemometric Classification of Carob Pulp and Products
Authors: Ioannou Georgia D. , Savva Ioanna K. , Christou Atalanti , Stavrou Ioannis J. , Kapnissi-Christodoulou Constantina P.
Published: March 2023

In recent years, carob and its derived products have gained wide attention due to their health-promoting effects, which are mainly attributed to their phenolic compounds. Carob samples (carob pulps, powders, and syrups) were analyzed to investigate their phenolic profile using high-performance liquid chromatography (HPLC), with gallic acid and rutin being the most abundant compounds. Moreover, the antioxidant capacity and total phenolic content of the samples were estimated through DPPH (IC50 98.83–488.47 mg extract/mL), FRAP (48.58–144.32 μmol TE/g product), and Folin–Ciocalteu (7.20–23.18 mg GAE/g product) spectrophotometric assays. The effect of thermal treatment and geographical origin of carobs and carob-derived products on their phenolic composition was assessed. Both factors significantly affect the concentrations of secondary metabolites and, therefore, samples’ antioxidant activity (p-value < 10−7). The obtained results (antioxidant activity and phenolic profile) were evaluated via chemometrics, through a preliminary principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA). The OPLS-DA model performed satisfactorily, differentiating all samples according to their matrix. Our results indicate that polyphenols and antioxidant capacity can be chemical markers for the classification of carob and its derived products.
Prediction of the n-Octanol/Water Partition Coefficients of Basic Compounds Using Multi-Parameter QSRR Models Based on IS-RPLC Retention Behavior in a Wide pH Range
Authors: Qiao Jun-Qin , Liu Xiao-Lan , Liang Chao , Wang Ju , Lian Hong-Zhen , Mao Li
Published: March 2023

The n-octanol–water partition coefficient (logP) is an important physicochemical parameter which describes the behavior of organic compounds. In this work, the apparent n-octanol/water partition coefficients (logD) of basic compounds were determined using ion-suppression reversed-phase liquid chromatography (IS-RPLC) on a silica-based C18 column. The quantitative structure–retention relationship (QSRR) models between logD and logkw (logarithm of retention factor corresponding to 100% aqueous fraction of mobile phase) were established at pH 7.0–10.0. It was found that logD had a poor linear correlation with logkw at pH 7.0 and pH 8.0 when strongly ionized compounds were included in the model compounds. However, the linearity of the QSRR model was significantly improved, especially at pH 7.0, when molecular structure parameters such as electrostatic charge ne and hydrogen bonding parameters A and B were introduced. External validation experiments further confirmed that the multi-parameter models could accurately predict the logD value of basic compounds not only under strong alkaline conditions, but also under weak alkaline and even neutral conditions. The logD values of basic sample compounds were predicted based on the multi-parameter QSRR models. Compared with previous work, the findings of this study extended the pH range for the determination of the logD values of basic compounds, providing an optional mild pH for IS-RPLC experiments.
H-rGO-Pd NPs Nanozyme Enhanced Silver Deposition Strategy for Electrochemical Detection of Glypican-3
Authors: Li Guiyin , Wang Bo , Li Ling , Li Xinhao , Yan Ruijie , Liang Jintao , Zhou Xinchun , Li Liuxun , Zhou Zhide
Published: March 2023

Glypican-3 (GPC3), as an emerging biomarker, has been shown to be beneficial for the early diagnosis and treatment of hepatocellular carcinoma (HCC). In this study, an ultrasensitive electrochemical biosensor for GPC3 detection has been constructed based on the hemin-reduced graphene oxide-palladium nanoparticles (H-rGO-Pd NPs) nanozyme-enhanced silver deposition signal amplification strategy. When GPC3 specifically interacted with GPC3 antibody (GPC3Ab) and GPC3 aptamer (GPC3Apt), an “H-rGO-Pd NPs-GPC3Apt/GPC3/GPC3Ab” sandwich complex was formed with peroxidase-like properties which enhanced H2O2 to reduce the silver (Ag) ions in solution to metallic Ag, resulting in the deposition of silver nanoparticles (Ag NPs) on the surface of the biosensor. The amount of deposited Ag, which was derived from the amount of GPC3, was quantified by the differential pulse voltammetry (DPV) method. Under ideal circumstances, the response value was linearly correlated with GPC3 concentration at 10.0–100.0 μg/mL with R2 of 0.9715. When the GPC3 concentration was in the range from 0.01 to 10.0 μg/mL, the response value was logarithmically linear with the GPC3 concentration with R2 of 0.9941. The limit of detection was 3.30 ng/mL at a signal-to-noise ratio of three and the sensitivity was 1.535 μAμM−1cm−2. Furthermore, the electrochemical biosensor detected the GPC3 level in actual serum samples with good recoveries (103.78–106.52%) and satisfactory relative standard deviations (RSDs) (1.89–8.81%), which confirmed the applicability of the sensor in practical applications. This study provides a new analytical method for measuring the level of GPC3 in the early diagnosis of HCC.
Transformation of CO2 with Glycerol to Glycerol Carbonate over ETS-10 Zeolite-Based Catalyst
Authors: Gao Zhangxi , Xiang Mei , He Mingyang , Zhou Weiyou , Chen Jiayao , Lu Jiamin , Wu Zeying , Su Yaqiong
Published: March 2023

Catalytic conversion of CO2 with the surplus glycerol (GL) produced from biodiesel manufacturing has attracted much academic and industrial attention, which proves the urgent requirement for developing high-performance catalysts to afford significant environmental benefits. Herein, titanosilicate ETS-10 zeolite-based catalysts with active metal species introduced by impregnation were employed for coupling CO2 with GL to efficiently synthesize glycerol carbonate (GC). The catalytic GL conversion at 170 °C miraculously reached 35.0% and a 12.7% yield of GC was obtained on Co/ETS-10 with CH3CN as a dehydrating agent. For comparison, Zn/ETS- Cu/ETS-10, Ni/ETS-10, Zr/ETS-10, Ce/ETS-10, and Fe/ETS-10 were also prepared, which showed inferior coordination between GL conversion and GC selectivity. Comprehensive analysis revealed that the presence of moderate basic sites for CO2 adsorption-activation played a crucial role in regulating catalytic activity. Moreover, the appropriate interaction between cobalt species and ETS-10 zeolite was also of great significance for improving the glycerol activation capacity. A plausible mechanism was proposed for the synthesis of GC from GL and CO2 in the presence of CH3CN solvent over Co/ETS-10 catalyst. Moreover, the recyclability of Co/ETS-10 was also measured and it proved to be recycled at least eight times with less than 3% decline in GL conversion and GC yield after a simple regeneration process through calcination at 450 °C for 5 h in air.
Recent Advances in Stimuli-Responsive Metallogels
Authors: Liu Zhixiong , Zhao Xiaofang , Chu Qingkai , Feng Yu
Published: March 2023

Recently, stimuli-responsive supramolecular gels have received significant attention because their properties can be modulated through external stimuli such as heat, light, electricity, magnetic fields, mechanical stress, pH, ions, chemicals and enzymes. Among these gels, stimuli-responsive supramolecular metallogels have shown promising applications in material science because of their fascinating redox, optical, electronic and magnetic properties. In this review, research progress on stimuli-responsive supramolecular metallogels in recent years is systematically summarized. According to external stimulus sources, stimuli-responsive supramolecular metallogels, including chemical, physical and multiple stimuli-responsive metallogels, are discussed separately. Moreover, challenges, suggestions and opportunities regarding the development of novel stimuli-responsive metallogels are presented. We believe the knowledge and inspiration gained from this review will deepen the current understanding of stimuli-responsive smart metallogels and encourage more scientists to provide valuable contributions to this topic in the coming decades.
Magnetic Solid-Phase Extraction Based on Silica and Graphene Materials for Sensitive Analysis of Emerging Contaminants in Wastewater with the Aid of UHPLC-Orbitrap-MS
Authors: Kalaboka Maria , Sakkas Vasilios
Published: March 2023

With the advancement of technology and nanotechnology, new extraction sorbents have been created and effectively used for the magnetic solid-phase extraction of target analytes. Some of the investigated sorbents have better chemical and physical properties, exhibiting high extraction efficiency and strong repeatability, combined with low detection and quantification limits. In this study graphene oxide (GO) magnetic composites were prepared and used as magnetic solid-phase extraction (MSPE) adsorbents along with synthesized silica based magnetic nanoparticles (MNPs) functionalized with the C18 group for the preconcentration of emerging contaminants (ECs) in wastewater samples generated from hospital and urban facilities. The sample preparation with magnetic materials was followed by UHPLC-Orbitrap MS analysis for the accurate identification and determination of trace amounts of pharmaceutical active compounds and artificial sweeteners in effluent wastewater. Optimal conditions were used for the extraction of ECs from the aqueous samples, prior to UHPLC-Orbitrap MS determination. The proposed methods achieved low quantitation limits between 1.1–33.6 ng L−1 and 1.8–98.7 ng L−1 and satisfactory recoveries in the range of 58.4%–102.6%. An intra-day precision of less than 23.1% was achieved, while inter-day RSD% values in the range of 5.6–24.8% were observed. These figures of merit suggest that our proposed methodology is suitable for the determination of target ECs in aquatic systems.
Chemical Profile, Antioxidant and Cytotoxic Activity of a Phenolic-Rich Fraction from the Leaves of Brassica fruticulosa subsp. fruticulosa (Brassicaceae) Growing Wild in Sicily (Italy)
Authors: Davì Federica , Taviano Maria Fernanda , Acquaviva Rosaria , Malfa Giuseppe Antonio , Cavò Emilia , Arena Paola , Ragusa Salvatore , Cacciola Francesco , El Majdoub Yassine Oulad , Mondello Luigi , Miceli Natalizia
Published: March 2023

Recently, our research team has started a study on Brassica fruticulosa subsp. fruticulosa, an edible plant traditionally used to treat various ailments, little investigated to date. Good in vitro antioxidant properties were highlighted for the leaf hydroalcoholic extract, with the secondary higher than the primary ones. In continuation of the ongoing research, this work was designed to elucidate the antioxidant properties of the phenolic compounds contained in the extract. For this purpose, a phenolic-rich ethyl acetate fraction (Bff-EAF) was obtained from the crude extract by liquid–liquid extraction. The phenolic composition was characterized by HPLC-PDA/ESI-MS analysis and the antioxidant potential was investigated by different in vitro methods. Furthermore, the cytotoxic properties were evaluated by MTT, LDH and ROS determinations on human colorectal epithelial adenocarcinoma cells (CaCo-2) and human normal fibroblasts (HFF-1). Twenty phenolic compounds (flavonoid and phenolic acid derivatives) were identified in Bff-EAF. The fraction exhibited good radical scavenging activity in the DPPH test (IC50 = 0.81 ± 0.02 mg/mL), and moderate reducing power (ASE/mL = 13.10 ± 0.94) and chelating properties (IC50 = 2.27 ± 0.18 mg/mL), contrary to what previously observed for the crude extract. Bff-EAF reduced in a dose-dependent manner CaCo-2 cell proliferation after 72 h of treatment. This effect was accompanied by the destabilization of the cellular redox state due to the antioxidant and pro-oxidant activities displayed by the fraction at lower and higher concentrations. No cytotoxic effect was observed on HFF-1 fibroblasts, used as control cell line.
Di(arylcarbazole) Substituted Oxetanes as Efficient Hole Transporting Materials with High Thermal and Morphological Stability for OLEDs
Authors: Tavgeniene Daiva , Zhang Baohua , Grigalevicius Saulius
Published: March 2023

A group of di(arylcarbazole)-substituted oxetanes has been prepared in Suzuki reactions by using the key starting material 3,3-di[3-iodocarbazol-9-yl]methyloxetane and various boronic acids (fluorophenylboronic acid, phenylboronic acid or naphthalene-1-boronic acid). Full characterization of their structure has been presented. The low molar mass compounds represent materials having high thermal stability with 5% mass loss thermal degradation temperatures in the range of 371–391 °C. Glass transition temperatures of the materials are also very high and range from 107 °C to 142 °C, which is a big advantage for formation of stable amorphous layers for optoelectronic devices, i.e., organic light emitting diodes. Hole transporting properties of the prepared materials were confirmed in formed organic light emitting diodes with tris(quinolin-8-olato)aluminium (Alq3) as a green emitter, which also served as an electron transporting layer. In the device’s materials, 3,3-di[3-phenylcarbazol-9-yl]methyloxetane (5) and 3,3-di[3-(1-naphthyl)carbazol-9-yl]methyloxetane (6) demonstrated superior hole transporting properties than that of material 3,3-di[3-(4-flourophenyl)carbazol-9-yl]methyloxetane (4) based device. When material 5 was used in the device structure, the OLED demonstrated rather low turn-on voltage of 3.7 V, luminous efficiency of 4.2 cd/A, power efficiency of 2.6 lm/W and maximal brightness exceeding 11670 cd/m2. HTL of 6 based device also showed exclusive OLED characteristics. The device was characterized by turn-on voltage of 3.4 V, maximum brightness of 13193 cd/m2, luminous efficiency of 3.8 cd/A and power efficiency of 2.6 lm/W. An additional hole injecting-transporting layer (HI-TL) of PEDOT considerably improved functions of the device with HTL of compound 4. The modified OLED with a layer of the derivative 4 demonstrated exclusive characteristics with turn-on voltage of 3.9 V, high luminous efficiency of 4.7 cd/A, power efficiency of 2.6 lm/W and maximal brightness exceeding 21,000 cd/m2. These observations confirmed that the prepared materials have a big potential in the field of optoelectronics.
Resazurin Reduction-Based Assays Revisited: Guidelines for Accurate Reporting of Relative Differences on Metabolic Status
Authors: Vieira-da-Silva Beatriz , Castanho Miguel A. R. B.
Published: March 2023

Cell viability and metabolic activity are ubiquitous parameters used in biochemistry, molecular biology, and biotechnological studies. Virtually all toxicology and pharmacological projects include at some point the evaluation of cell viability and/or metabolic activity. Among the methods used to address cell metabolic activity, resazurin reduction is probably the most common. At variance with resazurin, resorufin is intrinsically fluorescent, which simplifies its detection. Resazurin conversion to resorufin in the presence of cells is used as a reporter of metabolic activity of cells and can be detected by a simple fluorometric assay. UV–Vis absorbance is an alternative technique but is not as sensitive. In contrast to its wide empirical “black box” use, the chemical and cell biology fundamentals of the resazurin assay are underexplored. Resorufin is further converted to other species, which jeopardizes the linearity of the assays, and the interference of extracellular processes has to be accounted for when quantitative bioassays are aimed at. In this work, we revisit the fundamentals of metabolic activity assays based on the reduction of resazurin. Deviation to linearity both in calibration and kinetics, as well as the existence of competing reactions for resazurin and resorufin and their impact on the outcome of the assay, are addressed. In brief, fluorometric ratio assays using low resazurin concentrations obtained from data collected at short time intervals are proposed to ensure reliable conclusions.
All-Silicon Photoelectric Biosensor on Chip Based on Silicon Nitride Waveguide with Low Loss
Authors: Tang Yu , Luo Qian , Chen Yuxing , Xu Kaikai
Published: March 2023

Compared to the widely used compound semiconductor photoelectric sensors, all-silicon photoelectric sensors have the advantage of easy mass production because they are compatible with the complementary metal-oxide-semiconductor (CMOS) fabrication technique. In this paper, we propose an all-silicon photoelectric biosensor with a simple process and that is integrated, miniature, and with low loss. This biosensor is based on monolithic integration technology, and its light source is a PN junction cascaded polysilicon nanostructure. The detection device utilizes a simple refractive index sensing method. According to our simulation, when the refractive index of the detected material is more than 1.52, evanescent wave intensity decreases with the growth of the refractive index. Thus, refractive index sensing can be achieved. Moreover, it was also shown that, compared to a slab waveguide, the embedded waveguide designed in this paper has a lower loss. With these features, our all-silicon photoelectric biosensor (ASPB) demonstrates its potential in the application of handheld biosensors.
Optimized Design and Simulation of Optical Section in Electro-Reflective Modulators Based on Photonic Crystals Integrated with Multi-Quantum-Well Structures
Authors: Heshmati Mohammad Mahdi Khakbaz , Emami Farzin
Published: March 2023

In the design of photonic integrated circuits (PICs), the optical connections of the PIC surface, along with the electronic components of the chips, are significant issues. One of the optoelectronics components that utilizes these surface connections are electro-reflective modulators, consisting of an optical section and an electronic section. In this paper, a novel scheme of two-dimensional photonic crystals (PhCs) is presented for the optical and reflective sections of this device. This design is two-dimensional; thus, it has less volume than the current bulky structures. The finite element method is utilized to simulate and optimize the scheme of PhCs and gold layer parameters. Furthermore, optimization of design parameters is accomplished through the Nelder–Mead method. Moreover, the modeling and simulation of the proposed hybrid PhCs has been investigated according to the structural parameters with tolerance. These tolerances, related to the nanorods’ radius and lattice constants, are considered to justify and vindicate the fabrication technology limitations and conditions. In the “on” state of the modulator, the light transmission ratio is 98% for a 903 nm wavelength with a 45° angle of deflection and incident light, nd the bandwidth is 20 nm. For an 897 nm wavelength with a 41° angle, the transmission ratio is 95%, and the bandwidth is 7 nm.
Enhanced Skin Penetration of Cannabidiol Using Organosilane Particles as Transdermal Delivery Vehicles
Authors: Khabir Zahra , Partalis Connie , Panchal Jimit Vijay , Deva Anand , Khatri Aparajita , Garcia-Bennett Alfonso
Published: March 2023

There is potential for cannabidiol to act as an analgesic, anxiolytic and antipsychotic active ingredient; however, there is a need to find alternate administration routes to overcome its low oral bioavailability. In this work, we propose a new delivery vehicle based on encapsulation of cannabidiol within organosilica particles as drug delivery vehicles, which are subsequently incorporated within polyvinyl alcohol films. We investigated the long-term stability of the encapsulated cannabidiol, as well as its release rate, in a range of simulated fluids with different characterization techniques, including Fourier Transform Infrared (FT-IR) and High-performance Liquid Chromatography (HPLC). Finally, we determined the transdermal penetration in an ex vivo skin model. Our results show that cannabidiol is stable for up to 14 weeks within polyvinyl alcohol films at a range of temperatures and humidity. Release profiles are first-order, consistent with a mechanism involving diffusion of the cannabidiol (CBD) out of the silica matrix. The silica particles do not penetrate beyond the stratum corneum in the skin. However, cannabidiol penetration is enhanced and is detected in the lower epidermis, which was 0.41% of the total CBD in a PVA formulation compared with 0.27% for pure CBD. This is partly due to an improvement of its solubility profile as it is released from the silica particles, but we cannot rule out effects of the polyvinyl alcohol. Our design opens a route for new membrane technologies for cannabidiol and other cannabinoid products, where administration via non-oral or pulmonary routes can lead to better outcomes for patient cohorts in a range of therapeutics.