bluuebunny/crossref_metadata_2025 huggingface dataset:
The Use of Nano-Hydroxyapatite (NH) for Socket Preservation: Communication of an Upcoming Multicenter Study with the Presentation of a Pilot Case Report
Authors: Rossi Roberto , Carli Elisabetta , Bambini Fabrizio , Mummolo Stefano , Licini Caterina , Memè Lucia
Published: November 2023

Background and Objectives: The use of biomaterials in dentistry is extremely common. From a commercial perspective, different types of osteoconductive and osteoinductive biomaterials are available to clinicians. In the field of osteoconductive materials, clinicians have biomaterials made of heterologous bones at their disposal, including biomaterials of bovine, porcine, and equine origins, and biomaterials of natural origin, such as corals and hydroxyapatites. In recent years, it has become possible to synthesize nano-Ha and produce scaffolds using digital information. Although a large variety of biomaterials has been produced, there is no scientific evidence that proves their absolute indispensability in terms of the preservation of postextraction sites or in the execution of guided bone regeneration. While there is no scientific evidence showing that one material is better than another, there is evidence suggesting that several products have better in situ permanence. This article describes a preliminary study to evaluate the histological results, ISQ values, and prevalence of nano-HA. Materials and Methods: In this study, we planned to use a new biomaterial based on nanohydroxyapatite for implantation at one postextraction site; the nano-HA in this study was NuvaBONE (Overmed, Buccinasco, Milano, Italy). This is a synthetic bone graft substitute that is based on nanostructured biomimetic hydroxyapatite for application in oral–maxillofacial surgery, orthopedics, traumatology, spine surgery, and neurosurgery. In our pilot case, a patient with a hopeless tooth underwent extraction, and the large defect remaining after the removal of the tooth was filled with nano-HA to restore the volume. Twelve months later, the patient was booked for implant surgery to replace the missing tooth. At the time of the surgery, a biopsy of the regenerated tissue was taken using a trephine of 4 mm in the inner side and 8 mm deep. Results: The histological results of the biopsy showed abundant bone formation, high values of ISQ increasing from the insertion to the prosthetic phase, and a good reorganization of hydroxyapatite granules during resorption. The implant is in good function, and the replaced tooth shows good esthetics. Conclusions: The good results of this pilot case indicate starting the next Multicentric study to have more and clearer information about this nanohydroxyapatite (NH) compared with control sites.
The Antibacterial Effect of Selected Essential Oils and Their Bioactive Constituents on Pseudomonas savastanoi pv. savastanoi: Phytotoxic Properties and Potential for Future Olive Disease Control
Authors: Košćak Laura , Lamovšek Janja , Đermić Edyta , Godena Sara
Published: November 2023

Plant pathogenic bacteria pose a significant threat to olive cultivation, leading to substantial economic losses and reduced yield. The efficacy of antimicrobial agents against these pathogens is of great interest for sustainable disease management strategies. As such, the management of olive knot disease is one of the major challenges in olive protection. In the presented study, through a series of in vitro assays, we investigated the antimicrobial effect of six essential oils (EOs) and their most concentrated constituents against causative agent of olive knot disease—Pseudomonas savastanoi pv. savastanoi, highlighting the high potential of Origanum compactum EO and its constituent carvacrol. Carvacrol exhibited the highest potential for practical application, demonstrating membrane disruption as its mechanism of action even at the lowest concentration. The bactericidal effect of antimicrobials was confirmed in a time–kill assay, where concentrations of MIC, 2× MIC, and 4× MIC were evaluated. Some of the applied treatments resulted in inhibition equal or higher than copper-based treatment. Additionally, we assessed the phytotoxicity of carvacrol by foliar application on olive cv. Leccino. The appearance of phytotoxic injuries majorly occurred on the young leaves of olive plants, with the highest proportion of damaged canopy observed when the 2× MIC concentration was applied. Due to its great efficiency against P. savastanoi pv. savastanoi in vitro, these findings highlight the potential of carvacrol as a molecule of interest for the development of environmentally friendly biopesticides. This study also contributes to the advancement of disease management practices in olive cultivation, leading to enhanced crop protection.
Memory T Cells Discrepancies in COVID-19 Patients
Authors: Al Saihati Hajir A. , Hussein Hosni A. M. , Thabet Ali A. , Wardany Ahmed A. , Mahmoud Sabry Y. , Farrag Eman S. , Mohamed Taha I. A. , Fathy Samah M. , Elnosary Mohamed E. , Sobhy Ali , Ahmed Abdelazeem E. , El-Adly Ahmed M. , El-Shenawy Fareed S. , Elsadek Asmaa A. , Rayan Amal , Zahran Zeinab Albadry M. , El-Badawy Omnia , El-Naggar Mohamed G. M. , Afifi Magdy M. , Zahran Asmaa M.
Published: November 2023

The immune response implicated in Coronavirus disease 2019 (COVID-19) pathogenesis remains to be fully understood. The present study aimed to clarify the alterations in CD4+ and CD8+ memory T cells’ compartments in SARS-CoV-2-infected patients, with an emphasis on various comorbidities affecting COVID-19 patients. Peripheral blood samples were collected from 35 COVID-19 patients, 16 recovered individuals, and 25 healthy controls, and analyzed using flow cytometry. Significant alterations were detected in the percentage of CD8+ T cells and effector memory-expressing CD45RA CD8+ T cells (TEMRA) in COVID-19 patients compared to healthy controls. Interestingly, altered percentages of CD4+ T cells, CD8+ T cells, T effector (TEff), T naïve cells (TNs), T central memory (TCM), T effector memory (TEM), T stem cell memory (TSCM), and TEMRA T cells were significantly associated with the disease severity. Male patients had more CD8+ TSCMs and CD4+ TNs cells, while female patients had a significantly higher percentage of effector CD8+CD45RA+ T cells. Moreover, altered percentages of CD8+ TNs and memory CD8+CD45RO+ T cells were detected in diabetic and non-diabetic COVID-19 patients, respectively. In summary, this study identified alterations in memory T cells among COVID-19 patients, revealing a sex bias in the percentage of memory T cells. Moreover, COVID-19 severity and comorbidities have been linked to specific subsets of T memory cells which could be used as therapeutic, diagnostic, and protective targets for severe COVID-19.
Azo-Linkage Redox Metal–Organic Framework Incorporating Carbon Nanotubes for High-Performance Aqueous Energy Storage
Authors: Zhang Hualei , Wang Xinlei , Zhou Jie , Tang Weihua
Published: November 2023

The design of well-defined hierarchical free-standing electrodes for robust high-performance energy storage is challenging. We report herein that azo-linkage redox metal–organic frameworks (MOFs) incorporate single-walled carbon nanotubes (CNTs) as flexible electrodes. The in situ-guided growth, crystallinity and morphology of UiO-66-NO2 MOFs were finely controlled in the presence of CNTs. The MOFs’ covalent anchoring to CNTs and solvothermal grafting anthraquinone (AQ) pendants endow the hybrid (denoted as CNT@UiO-66-AQ) with greatly improved conductivity, charge storage pathways and electrochemical dynamics. The flexible CNT@UiO-66-AQ displays a highest areal specific capacitance of 302.3 mF cm−2 (at 1 mA cm−2) in −0.4~0.9 V potential window, together with 100% capacitance retention over 5000 cycles at 5 mA cm−2. Its assembled symmetrical supercapacitor (SSC) achieves a maximum energy density of 0.037 mWh cm−2 and a maximum power density of 10.4 mW cm−2, outperforming many MOFs-hybrids-based SSCs in the literature. Our work may open a new avenue for preparing azo-coupled redox MOFs hybrids with carbaneous substrates for high-performance robust aqueous energy storage.
The Optimization of the Synthesis Process and the Identification of Levobupivacaine Hydrochloride
Authors: Yan Qiuming , Gan Houjun , Li Chunzheng , Gui Gang , Wang Jianbo , Zha Xiaoming
Published: November 2023

In this study, we not only optimized and improved the synthesis process of levobupivacaine hydrochloride (21) but also conducted a comprehensive exploration of critical industrial-scale production details, and a novel high-performance liquid chromatography (HPLC) analysis method was developed. Starting with the readily available and cost-effective (R,S)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide (28) as the initial material and utilizing l-(–)-dibenzoyl tartaric acid (29) for chiral separation, and then through substitution and a salting reaction, levobupivacaine hydrochloride (21) was obtained with high purity (chemical purity of 99.90% and enantiomeric excess (ee) values of 99.30%). The total yield of the three steps was 45%. Structures of intermediates and the final product were confirmed using nuclear magnetic resonance (NMR) (1H NMR, 13C NMR), mass spectrometry (MS), and elemental analysis. The crystal structure of the final product was determined through differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and X-ray diffraction (XRD). Furthermore, we evaluated the risk of the substitution reaction using a reaction calorimeter and accelerating rate calorimetry (ARC). This process offers the advantages of simple operation, greenness, safety, controllable quality, and cost-effectiveness. It provides reliable technical support for the industrial-scale production of levobupivacaine hydrochloride (21), which is of significant importance in meeting clinical demands. Pilot-scale production has already been successfully completed by China National Medicines Guorui Pharmaceutical Co., Ltd., with a production scale of 20 kg.
Methyl and Ethyl Ethers of Glycerol as Potential Green Low-Melting Technical Fluids
Authors: Samoilov Vadim , Lavrentev Vladimir , Sultanova Madina , Ramazanov Dzhamalutdin , Kozhevnikov Andrey , Shandryuk Georgiy , Kniazeva Mariia , Maximov Anton
Published: November 2023

The study is dedicated to the consideration of lower alkyl ethers of glycerol as potential components of low-melting technical fluids (e.g., heat transfer fluids, hydraulic fluids, aircraft de-icing fluids, etc.). Four isomeric mixtures of glycerol ethers (GMME—monomethyl; GDME—dimethyl; GMEE—monoethyl; GDEE—diethyl) were synthesized from epichlorohydrin and methanol/ethanol in the presence of sodium and subjected to detailed characterization as pure compounds and as aqueous solutions (30–90 vol%). The temperature and concentration dependencies of density, viscosity, cloud point, boiling range, specific heat capacity, thermal conductivity, and rubber swelling were obtained. On the basis of the data obtained, a comparison was made between the aqueous solutions of glycerol ethers and of other common bases for low-melting liquids (glycerol, ethylene glycol, and propylene glycol). Pure glycerol ethers could potentially be used as technical fluids in a very wide temperature range—from −114 to 150 °C. It was further demonstrated that in low temperature applications (e.g., in low-temperature chiller systems) the glycerol-ether-based aqueous heat transfer fluids could provide enhanced efficiency when compared to the glycerol- or propylene-glycol-based ones due to their lower viscosities and favorable environmental properties.
Hydrogen Bonds Stabilize Chloroselenite Anions: Crystal Structure of a New Salt and Donor-Acceptor Bonding to SeO2
Authors: Boeré René T.
Published: November 2023

The single-crystal X-ray diffraction structure characterizing a new 4-methylbenzamidinium salt of chloroselenite [C8H11N2][ClSeO2] is reported. This is only the second crystal structure report on a ClSeO2− salt. The structure contains an extended planar hydrogen bond net, including a double interaction with both O atoms of the anion (an R228 ring in Etter notation). The anion has the shortest Se–Cl distances on record for any chloroselenite ion, 2.3202(9) Å. However, the two Se–O distances are distinct at 1.629(2) and 1.645(2) Å, attributed to weak anion–anion bridging involving the oxygen with the longer bond. DFT computations at the RB3PW91-D3/aug-CC-pVTZ level of theory reproduce the short Se–Cl distance in a gas-phase optimized ion pair, but free optimization of ClSeO2− leads to an elongation of this bond. A good match to a known value for [Me4N][ClSeO2] is found, which fits to the Raman spectroscopic evidence for this long-known salt and to data measured on solutions of the anion in CH3CN. The assignment of the experimental Raman spectrum was corrected by means of the DFT-computed vibrational spectrum, confirming the strong mixing of the symmetry coordinate of the Se–Cl stretch with both ν2 and ν4 modes.
Antimicrobial Potency and E. coli β-Carbonic Anhydrase Inhibition Efficacy of Phenazone-Based Molecules
Authors: Rashdan Huda R. M. , El-Sayyad Gharieb S. , Shehadi Ihsan A. , Abdelmonsef Aboubakr H.
Published: November 2023

In this investigation, 4-antipyrinecarboxaldhyde was reacted with methyl hydrazinecarbodithioate to afford the carbodithioate derivative 3. The as-prepared carbodithioate derivative 3 is considered to be a key molecule for the preparation of new antipyrine-1,3,4-thiadiazole-based molecules (4–9) through its reaction with the appropriate hydrazonoyl halides. Furthermore, a typical Biginelli three-component cyclocondensation reaction involving ethyl acetoacetate, 4-antipyrinecarboxaldhyde, and thiourea under the standard conditions is carried out in the presence of sulfuric acid to afford the corresponding antipyrine–pyrimidine hybrid molecule (10). The latter was submitted to react with hydrazine monohydrate to provide the corresponding hydrazide derivative (11) which, under reaction with ethyl acetoacetate in refluxing ethanol containing catalytic amount of acetic acid, afforded the corresponding derivative (12). The structure of the newly synthesized compounds was affirmed by their spectral and microanalytical data. We also screened for their antimicrobial potential (ZOI and MIC) and conducted a kinetic study. Additionally, the mechanism of biological action was assessed by a membrane leakage assay and SEM imaging technique. Moreover, the biological activities and the binding modes of these compounds were further supplemented by an in silico docking study against E. coli β-carbonic anhydrase. The amount of cellular protein released by E. coli is directly correlated to the concentration of compound 9, which was found to be 177.99 µg/mL following treatment with 1.0 mg/mL of compound 9. This finding supports compound 9’s antibacterial properties and explains how the formation of holes in the E. coli cell membrane results in the release of proteins from the cytoplasm. The newly synthesized compounds represent acceptable antimicrobial activities with potential action against E. coli β-carbonic anhydrase. The docking studies and antimicrobial activity test proved that compound (9) declared a greater activity than the other synthesized compounds.
Lateral Flow Immunoassay Based on Quantum-Dot Nanobeads for Detection of Chloramphenicol in Aquatic Products
Authors: Han Qian , Fan Ling , Liu Xiuying , Tang Yiwei , Wang Pingping , Shu Zaixi , Zhang Wei , Zhu Lijie
Published: November 2023

Quantum dot nanobeads (QBs) were used as signal source to develop competitive lateral flow immunoassay (LFIA) for the detection of chloramphenicol (CAP). The quantitative detection of CAP was achieved by calculating the total color difference (∆E) values of the test line (T line) using the images of test strips. QB-based LFIA (QBs-LFIA) allowed the effective dynamic linear detection of CAP in the range of 0.1–1.5 ng/mL. The limit of detection (LOD) was 3.0 ng/mL, which was 50 and 667 times lower than those achieved for two different brands of colloidal gold kits. The recoveries of CAP during real-sample detection were 82.82–104.91% at spiked levels of 0.1, 0.7, and 1.5 ng/mL. These results indicate that the developed QBs-LFIA facilitates the sensitive detection of CAP.
Density Functional Theory and Density Functional Tight Binding Studies of Thiamine Hydrochloride Hydrates
Authors: Napiórkowska Ewa , Szeleszczuk Łukasz , Milcarz Katarzyna , Pisklak Dariusz Maciej
Published: November 2023

Thiamine hydrochloride (THCL), also known as vitamin B1, is an active pharmaceutical ingredient (API), present on the list of essential medicines developed by the WHO, which proves its importance for public health. THCL is highly hygroscopic and can occur in the form of hydrates with varying degrees of hydration, depending on the air humidity. Although experimental characterization of the THCL hydrates has been described in the literature, the questions raised in previously published works suggest that additional research and in-depth analysis of THCL dehydration behavior are still needed. Therefore, the main aim of this study was to characterize, by means of quantum chemical calculations, the behavior of thiamine hydrates and explain the previously obtained results, including changes in the NMR spectra, at the molecular level. To achieve this goal, a series of DFT (CASTEP) and DFTB (DFTB+) calculations under periodic boundary conditions have been performed, including molecular dynamics simulations and GIPAW NMR calculations. The obtained results explain the differences in the relative stability of the studied forms and changes in the spectra observed for the samples of various degrees of hydration. This work highlights the application of periodic DFT calculations in the analysis of various solid forms of APIs.
Dissipation and Dietary Risk Assessment of Prochloraz in Strawberries under Greenhouse Conditions
Authors: Wang Hui , Sun Jian , Liu Qingju , Li Cheng , Luan Yunxia
Published: November 2023

Prochloraz and its metabolites in strawberries have not been determined until now. Meanwhile, few reports in the literature have concerned the dissipation behavior and risk assessment of prochloraz and its metabolites in strawberries under greenhouse conditions in Beijing. A method for the determination of prochloraz and its metabolites in strawberries was developed using QuEChERS in combination with ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS). Prochloraz and its metabolites recovered from strawberries were present in concentrations of 73.06% to 116.01%, their RSDs ranged from 1.12% to 9.17%, and their limits of detection ranged from 0.1 to 1 μg kg−1. Then, a study was conducted on the dissipation of prochloraz in strawberries under greenhouse conditions. The dissipation of prochloraz in strawberries followed the first-order kinetic equation, and its half-life was 8.06 days. The health risk associated with prochloraz in strawberries was evaluated using the target hazard quotient (THQ) method and EFSA PRIMo model. The results showed that the THQ values, %ARfD values, and %ADI values were less than 1. These results indicate that no health concerns of prochloraz are associated with the consumption of the studied strawberries. The government can use the results of this study to support the establishment of a maximum residue level for prochloraz in strawberries.
Photocatalytic Oxygen Evolution under Visible Light Mediated by Molecular Heterostructures
Authors: Shen Zhaoqi , Zhang Yujie , Zhang Guang , Liu Shiyong
Published: November 2023

Due to their structural and property tunability, semiconductive conjugated polymers (CPs) have emerged as promising candidates for photocatalytic water splitting. Compared with inorganic materials, the photocatalytic performance of mono-component polymers was limited by the fast recombination of photoexcited charge carriers, and they always needed to catch up to expectations. To this end, researchers established molecular donor–acceptor heterostructures, which could notably promote oxygen production efficiency due to their more effective charge carrier separation. In this work, easy Schiff base reactions between side-chain -CHO groups and terminal -NH2 groups were used to introduce benzene and perylene diimide (PDI) into the molecular heterostructure to serve as electron donors (D) and electron acceptors (A). In particular, for the first time, we employed the molecular heterostructures of CPs to promote photocatalytic O2 production. One prepared molecular heterostructure was demonstrated to improve oxygen generation rate (up to 0.53 mmol g−1 h−1) through visible light-driven water splitting. Interestingly, based on the photoelectric properties, a stepwise two-electron/two-electron pathway constituted the photocatalytic mechanism for oxygen production with the molecular heterostructure. These results provide insights into designing and fabricating high-performance molecular heterostructures for photocatalytic oxygen production.
Assessing the Protective Role of Epigallocatechin Gallate (EGCG) against Water-Pipe Smoke-Induced Toxicity: A Comparative Study on Gene Expression and Histopathology
Authors: Al-Awaida Wajdy , Goh Khang Wen , Al-Ameer Hamzeh J. , Gushchina Yulia Sh. , Torshin Vladimir I. , Severin Alexandr E. , Al Bawareed Omar , Srour Besan , Al Farraj Jude , Hamad Islam
Published: November 2023

Exposure to water-pipe smoking, whether flavored or unflavored, has been shown to instigate inflammation and oxidative stress in BALB/c mice. This consequently results in alterations in the expression of inflammatory markers and antioxidant genes. This study aimed to scrutinize the impact of Epigallocatechin gallate (EGCG)—a key active component of green tea—on inflammation and oxidative stress in BALB/c mice exposed to water-pipe smoke. The experimental setup included a control group, a flavored water-pipe smoke (FWP) group, an unflavored water-pipe smoke (UFWP) group, and EGCG-treated flavored and unflavored groups (FWP + EGCG and UFWP + EGCG). Expression levels of IL-6, IL1B, TNF-α, CAT, GPXI, MT−I, MT−II, SOD−I, SOD−II, and SOD-III were evaluated in lung, liver, and kidney tissues. Histopathological changes were also assessed. The findings revealed that the EGCG-treated groups manifested a significant decline in the expression of inflammatory markers and antioxidant genes compared to the FWP and UFWP groups. This insinuates that EGCG holds the capacity to alleviate the damaging effects of water-pipe smoke-induced inflammation and oxidative stress. Moreover, enhancements in histopathological features were observed in the EGCG-treated groups, signifying a protective effect against tissue damage induced by water-pipe smoking. These results underscore the potential of EGCG as a protective agent against the adverse effects of water-pipe smoking. By curbing inflammation and oxidative stress, EGCG may aid in the prevention or mitigation of smoking-associated diseases.
A Pair of Multifunctional Cu(II)–Dy(III) Enantiomers with Zero–Field Single–Molecule Magnet Behaviors, Proton Conduction Properties and Magneto–Optical Faraday Effects
Authors: Zhu Shui-Dong , Zhou Yu-Lin , Liu Fang , Lei Yu , Liu Sui-Jun , Wen He-Rui , Shi Bin , Zhang Shi-Yong , Liu Cai-Ming , Lu Ying-Bing
Published: November 2023

Multifunctional materials with a coexistence of proton conduction properties, single–molecule magnet (SMM) behaviors and magneto–optical Faraday effects have rarely been reported. Herein, a new pair of Cu(II)–Dy(III) enantiomers, [DyCu2(RR/SS–H2L)2(H2O)4(NO3)2]·(NO3)·(H2O) (R–1 and S–1) (H4L = [RR/SS] –N,N′–bis [3–hydroxysalicylidene] –1,2–cyclohexanediamine), has been designed and prepared using homochiral Schiff–base ligands. R–1 and S–1 contain linear Cu(II)–Dy(III)–Cu(II) trinuclear units and possess 1D stacking channels within their supramolecular networks. R–1 and S–1 display chiral optical activity and strong magneto–optical Faraday effects. Moreover, R–1 shows a zero–field SMM behavior. In addition, R–1 demonstrates humidity– and temperature–dependent proton conductivity with optimal values of 1.34 × 10−4 S·cm−1 under 50 °C and 98% relative humidity (RH), which is related to a 1D extended H–bonded chain constructed by water molecules, nitrate and phenol groups of the RR–H2L ligand.
Synthesis of C12-C18 Fatty Acid Isobornyl Esters
Authors: Qin Rongxiu , Chen Haiyan , Wen Rusi , Liang Zhongyun , Meng Zhonglei
Published: November 2023

Camphene, C12-C18 fatty acids, and titanium sulfate were used as raw materials to study the synthesis of long-chain fatty acid isobornyl esters. Products were analyzed quantitatively by gas chromatography (GC), characterized by nuclear magnetic resonance spectroscopy (hydrogen and carbon), and evaluated using toxicity tests. The optimum reaction conditions were as follows: n(lauric acid):n(camphene) = 2.5:1, m(titanium sulfate):m(camphene) = 0.25:1, reaction temperature of 80 °C, and reaction time of 25 h. Under these conditions, the content of isobornyl laurate in the product was 74.49%, and the content of purified product was 95.02%. The reaction kinetics for isobornyl laurate showed an apparent first-order reaction in the first 9 h with an activation energy of 31.01 kJ/mol. The reaction conditions of myristic acid, palmitic acid, and stearic acid were similar to those of lauric acid, but the reaction time had to be increased as the molecular weight of the fatty acid increased. Toxicity tests for four types of long-chain fatty acid isobornyl esters showed that the samples had low toxicity.
Comparative Transcriptomic Analyses Propose the Molecular Regulatory Mechanisms Underlying 1,8-Cineole from Cinnamomum kanehirae Hay and Promote the Asexual Sporulation of Antrodia cinnamomea in Submerged Fermentation
Authors: Li Huaxiang , Dai Jianing , Wang Juanjuan , Lu Chunlei , Luo Zhishan , Zheng Xiangfeng , Lu Zhenming , Yang Zhenquan
Published: November 2023

Antrodia cinnamomea is a valuable edible and medicinal mushroom with antitumor, hepatoprotective, and antiviral effects that play a role in intestinal flora regulation. Spore-inoculation submerged fermentation has become the most efficient and well-known artificial culture process for A. cinnamomea. In this study, a specific low-molecular compound named 1,8-cineole (cineole) from Cinnamomum kanehirae Hay was first reported to have remarkably promoted the asexual sporulation of A. cinnamomea in submerged fermentation (AcSmF). Then, RNA sequencing, real-time quantitative PCR, and a literature review were performed to predict the molecular regulatory mechanisms underlying the cineole-promoted sporulation of AcSmF. The available evidence supports the hypothesis that after receiving the signal of cineole through cell receptors Wsc1 and Mid2, Pkc1 promoted the expression levels of rlm1 and wetA and facilitated their transfer to the cell wall integrity (CWI) signal pathway, and wetA in turn promoted the sporulation of AcSmF. Moreover, cineole changed the membrane functional state of the A. cinnamomea cell and thus activated the heat stress response by the CWI pathway. Then, heat shock protein 90 and its chaperone Cdc37 promoted the expression of stuA and brlA, thus promoting sporulation of AcSmF. In addition, cineole promoted the expression of areA, flbA, and flbD through the transcription factor NCP1 and inhibited the expression of pkaA through the ammonium permease of MEP, finally promoting the sporulation of AcSmF. This study may improve the efficiency of the inoculum (spores) preparation of AcSmF and thereby enhance the production benefits of A. cinnamomea.
Non-Targeted Spectranomics for the Early Detection of Xylella fastidiosa Infection in Asymptomatic Olive Trees, cv. Cellina di Nardò
Authors: Ahmed Elhussein , Musio Biagia , Todisco Stefano , Mastrorilli Piero , Gallo Vito , Saponari Maria , Nigro Franco , Gualano Stefania , Santoro Franco
Published: November 2023

Olive quick decline syndrome (OQDS) is a disease that has been seriously affecting olive trees in southern Italy since around 2009. During the disease, caused by Xylella fastidiosa subsp. pauca sequence type ST53 (Xf), the flow of water and nutrients within the trees is significantly compromised. Initially, infected trees may not show any symptoms, making early detection challenging. In this study, young artificially infected plants of the susceptible cultivar Cellina di Nardò were grown in a controlled environment and co-inoculated with additional xylem-inhabiting fungi. Asymptomatic leaves of olive plants at an early stage of infection were collected and analyzed using nuclear magnetic resonance (NMR), hyperspectral reflectance (HSR), and chemometrics. The application of a spectranomic approach contributed to shedding light on the relationship between the presence of specific hydrosoluble metabolites and the optical properties of both asymptomatic Xf-infected and non-infected olive leaves. Significant correlations between wavebands located in the range of 530–560 nm and 1380–1470 nm, and the following metabolites were found to be indicative of Xf infection: malic acid, fructose, sucrose, oleuropein derivatives, and formic acid. This information is the key to the development of HSR-based sensors capable of early detection of Xf infections in olive trees.
Development of a Quantitative PCR Method for Detecting Enterococcus faecalis Cytolysin in Human Stool Samples
Authors: Cabré Noemí , Yang Yongqiang , Wang Yanhan , Schnabl Bernd
Published: November 2023

Alcohol-associated liver disease (ALD) is a major global health issue, contributing significantly to morbidity and mortality worldwide. Among the ALD subtypes, alcohol-associated hepatitis poses a severe and urgent medical challenge with high short-term mortality rates. Despite extensive research, the current therapeutic approaches for alcohol-associated hepatitis have limited efficacy, necessitating novel interventions. Recent studies have highlighted the crucial role of the gut microbiota in ALD pathogenesis, particularly Enterococcus faecalis (E. faecalis) and its cytolysin exotoxin. This study presents the development of a standardized real-time quantitative polymerase chain reaction (RT-qPCR) assay to detect and quantify cytolysin in fecal samples from patients with alcohol-associated hepatitis. The diagnostic assay allows for an association analysis between cytolysin-positive E. faecalis and disease severity as well as mortality. This assay was developed to standardize the identification of cytolysin-positive patients who can be selected for clinical trials.
Exploring Benefits and Barriers of Plant-Based Diets: Health, Environmental Impact, Food Accessibility and Acceptability
Authors: Viroli Giulia , Kalmpourtzidou Aliki , Cena Hellas
Published: November 2023

Unhealthy dietary patterns are directly linked to the current Global Syndemic consisting of non-communicable diseases, undernutrition and climate change. The dietary shift towards healthier and more sustainable plant-based diets is essential. However, plant-based diets have wide intra differences; varying from vegan diets that totally exclude meat and animal products to traditional ones such as the Mediterranean diet and the new Nordic diet. It is acknowledged that plant-based diets may contribute simultaneously to improving population health as well as to decreasing the environmental impact of food systems. Evidence from cohort and randomized-controlled trials suggests that plant-based dietary patterns have beneficial effects on bodyweight control, cardiovascular health and diabetes prevention and treatment. On the other hand, micronutrient requirements may not be met, if some plant-based diets are not well-planned. Additionally, studies showed that lower consumption of meat and animal products results in lower environmental impacts. Consequently, plant-based diets could be a key factor to increase diet sustainability. This narrative review addresses the advantages of adherence to plant-based diets on human and planetary health considering strains and barriers to achieve this dietary transition, including cultural acceptability and affordability factors. Finally, potential intervention and policy recommendations are proposed, focusing on the update of current national food-based dietary guidelines.
Modification of the Physicochemical Properties of Active Pharmaceutical Ingredients via Lyophilization
Authors: Taldaev Amir , Pankov Denis I. , Terekhov Roman P. , Zhevlakova Anastasia K. , Selivanova Irina A.
Published: November 2023

Bioavailability is an important biopharmaceutical characteristic of active pharmaceutical ingredients (APIs) that is often correlated with their solubility in water. One of the methods of increasing solubility is freeze drying (lyophilization). The article provides a systematic review of studies published from 2012 to 2022 aimed at optimizing the properties of active pharmaceutical ingredients by freeze drying. This review was carried out in accordance with the recommendations of Preferred Reporting Items for Systematic Reviews and Meta-Analysis (PRISMA). In general, 141 modifications of 36 APIs attributed to 12 pharmacological groups were reported in selected publications. To characterize the products of phase modification after lyophilization, a complex of analytical methods was used, including microscopic, thermal, X-ray, and spectral approaches. Solubility and pharmacokinetic parameters were assessed. There is a tendency to increase solubility due to the amorphization of APIs during lyophilization. Thus, the alcohol lyophilizate of dihydroquercetin is “soluble” in water compared to the initial substance belonging to the category “very poorly soluble”. Based on the analysis of the literature, it can be argued that lyophilization is a promising method for optimizing the properties of APIs.
Comprehensive Assessment of the Stability of Selected Coxibs in Variable Environmental Conditions along with the Assessment of Their Potential Hepatotoxicity
Authors: Gumułka Paweł , Pecio Łukasz , Żmudzki Paweł , Ciura Krzesimir , Skalicka-Woźniak Krystyna , Dąbrowska Monika , Starek Małgorzata
Published: November 2023

Determining the influence of environmental factors on the stability of drugs is very helpful when choosing excipients, storage conditions or packaging materials. In addition, information about possible toxic degradation products enables detecting and avoiding the harmful side effects of the drug. We used the thin-layer chromatographic-densitometric procedure for the assay of five coxibs, conducted degradation studies in various environments and at different temperatures along with the determination of pharmacokinetic parameters. The results were subjected to chemometric analysis, to investigate and visualize the similarities and differences of the studied coxibs. Samples of the tested drug were also analyzed by UPLC-MS/MS in order to identify degradation products, and determine possible drug degradation pathways. Using the human liver cancer HepG2 cell line, the hepatotoxic effect of the degradation products was also determined. It was observed that all substances were relatively stable under the analyzed conditions and degraded more in acidic than alkaline environments. Robenacoxib is the drug that decomposes the fastest, and cimicoxib turned out to be the most stable. Robenacoxib also showed significant hepatotoxicity at the highest tested concentration, which correlates with the high degree of its degradation, and the probable formation of a more hepatoxic product. The obtained mass spectra of compounds formed as a result of hydrolysis of the protonated drug leading to the formation of several product ions, which enabled us to propose probable degradation pathways.
Accuracy of Holographic Real-Time Mode Decomposition Methods Used for Multimode Fiber Laser Emission
Authors: Kharenko Denis S. , Revyakin Alexander A. , Gervaziev Mikhail D. , Ferraro Mario , Mangini Fabio , Babin Sergey A.
Published: November 2023

Mode decomposition is a powerful tool for analyzing the modal content of optical multimode radiation. There are several basic principles on which this tool can be implemented, including near-field intensity analysis, machine learning, and spatial correlation filtering (SCF). The latter is meant to be applied to a spatial light modulator and allows one to obtain information on the mode amplitudes and phases of temporally stable beams by only analyzing experimental data. As a matter of fact, techniques based on SCF have already been successfully used in several studies, e.g., for investigating the Kerr beam self-cleaning effect and determining the modal content of Raman fiber lasers. Still, such techniques have a major drawback, i.e., they require acquisition times as long as several minutes, thus being unfit for the investigation of fast mode distribution dynamics. In this paper, we numerically study three types of digital holograms, which permits us to determine, at the same time, the parameters of a set of modes of multimode beams. Because all modes are simultaneously characterized, the processing speed of these real-time mode decomposition methods in experimental realizations will be limited only by the acquisition rate of imaging devices, e.g., state-of-the-art CCD camera performance may provide decomposing rates above 1 kHz. Here, we compare the accuracy of conjugate symmetric extension (CSE), double-phase holograms (DPH), and phase correlation filtering (PCF) methods in retrieving the mode amplitudes of optical beams composed of either three, six, or ten modes. In order to provide a statistical analysis of the outcomes of these three methods, we propose a novel algorithm for the effective enumeration of mode parameters, which covers all possible beam modal compositions. Our results show that the best accuracy is achieved when the amplitude-phase mode distribution associated with multiple frequency PCF techniques is encoded by Jacobi–Anger expansion.
Vector Light Field Immediately behind an Ideal Spherical Lens: Spin–Orbital Conversion, Additional Optical Vortices, Spin Hall Effect, Magnetization
Authors: Kotlyar Victor V. , Kovalev Alexey A. , Stafeev Sergey S. , Kozlova Elena S. , Telegin Alexey M.
Published: November 2023

The Richards–Wolf formulas not only adequately describe a light field at a tight focus, but also make it possible to describe a light field immediately behind an ideal spherical lens, that is, on a converging spherical wave front. Knowing all projections of light field strength vectors behind the lens, the longitudinal components of spin and orbital angular momenta (SAM and OAM) can be found. In this case, the longitudinal projection of the SAM immediately behind the lens either remains zero or decreases. This means that the Spin–Orbital Conversion (SOC) effect where part of the “spin goes into orbit” takes place immediately behind the lens. And the sum of longitudinal projections of SAM and OAM is preserved. As for the spin Hall effect, it does not form right behind the lens, but appears as focusing occurs. That is, there is no Hall effect immediately behind the lens, but it is maximum at the focus. This happens because two optical vortices with topological charges (TCs) 2 and −2 and with spins of different signs (with left and right circular polarization) are formed right behind the lens. However, the total spin is zero since amplitudes of these vortices are the same. The amplitude of optical vortices becomes different while focusing and at the focus itself, and therefore regions with spins of different signs (Hall effect) appear. A general form of initial light fields which longitudinal field component is zero at the focus was found. In this case, the SAM vector can only have a longitudinal component that is nonzero. The SAM vector elongated only along the optical axis at the focus is used in magnetization task.
The Future of Chemotherapy: The Mechanisms and Benefits of Exercise in Taxane-Induced Peripheral Neuropathy
Authors: Shastry Sumedha , Mizrahi David , Kanzawa-Lee Grace
Published: November 2023

Chemotherapy-induced peripheral neuropathy (CIPN) is a dose-limiting side-effect resulting from numerous neurotoxic chemotherapies that damages the peripheral nerves, alters sensations in the hands and feet, causes burning and shooting pains, and impairs a patient’s quality of life (QoL). There are limited established interventions to help improve CIPN symptoms. There is only one pharmacological agent (Duloxetine) for treatment of CIPN; however, it only has mild benefit, signaling a critical need for alternative management options to manage patient symptoms. Multiple studies suggest therapeutic benefits of exercise in cancer care to improve physical and psychological functioning; however, the benefits regarding CIPN symptoms and physical function are less clear. This narrative review synthesizes research articles investigating the effect and mechanisms induced by different exercise programs for patients with taxane-induced peripheral neuropathy (TIPN) symptoms and function. The overall incidence, manifestations, characteristics, and mechanisms of CIPN are also discussed. While some studies in this narrative review demonstrated that exercise programs may have benefits on sensory and motor TIPN symptoms in some but not all patients, there are consistent benefits of improved QoL and physical function across most patients. This narrative review highlights the need for future research to confirm the effects of exercise for TIPN, with a focus on other important components, including the effect of exercise adherence, type, and supervision level.
A Molecular Integrative Study on the Inhibitory Effects of WRR and ERW on Amyloid β Peptide (1–42) Polymerization and Cell Toxicity
Authors: Wu Zhongyun , Ye Lianmeng , Yuan Nan , Che Ajuyo Nuela Manka’a , Xiao Zhengpan , Liu Liangwang , Chen Zuqian , Pei Yechun , Min Yi , Wang Dayong
Published: November 2023

Alzheimer’s disease (AD) is a neurodegenerative disease and the main pathological characteristic of AD is the deposition of Aβ42 in the brain. Inhibition of Aβ42 polymerization is one of the important research directions. Due to the pathological complexity of Alzheimer’s disease, studies on Aβ42 polymerization inhibitors have not made significant progress worldwide. Using an independently constructed structure database of oligopeptides, in this study, molecular docking, umbrella sampling analysis of free energy, ThT fluorescence detection of Aβ42 polymerization, transmission electron microscopy, and flow cytometry detection of reactive oxygen species (ROS) and apoptosis were performed to screen tripeptides and pentapeptides that inhibit polymerization. It was found that two tripeptides, i.e., WRR and ERW, bind stably to the core of Aβ42 polymerization in the molecular dynamics analysis, and they significantly inhibited the aggregation of Aβ42 and reduced their cell toxicity in vitro.
Novel Zinc/Silver Ions-Loaded Alginate/Chitosan Microparticles Antifungal Activity against Botrytis cinerea
Authors: Vinceković Marko , Jurić Slaven , Vlahoviček-Kahlina Kristina , Martinko Katarina , Šegota Suzana , Marijan Marijan , Krčelić Ana , Svečnjak Lidija , Majdak Mislav , Nemet Ivan , Rončević Sanda , Rezić Iva
Published: November 2023

Addressing the growing need for environmentally friendly fungicides in agriculture, this study explored the potential of biopolymer microparticles loaded with metal ions as a novel approach to combat fungal pathogens. Novel alginate microspheres and chitosan/alginate microcapsules loaded with zinc or with zinc and silver ions were prepared and characterized (microparticle size, morphology, topography, encapsulation efficiency, loading capacity, and swelling behavior). Investigation of molecular interactions in microparticles using FTIR-ATR spectroscopy exhibited complex interactions between all constituents. Fitting to the simple Korsmeyer–Peppas empirical model revealed the rate-controlling mechanism of metal ions release from microparticles is Fickian diffusion. Lower values of the release constant k imply a slower release rate of Zn2+ or Ag+ ions from microcapsules compared to that of microspheres. The antimicrobial potential of the new formulations against the fungus Botrytis cinerea was evaluated. When subjected to tests against the fungus, microspheres exhibited superior antifungal activity especially those loaded with both zinc and silver ions, reducing fungal growth up to 98.9% and altering the hyphal structures. Due to the slower release of metal ions, the microcapsule formulations seem suitable for plant protection throughout the growing season. The results showed the potential of these novel microparticles as powerful fungicides in agriculture.
The Effect of Reverse Sorption on an Extraction Kinetics Melanin Case
Authors: Lomovskiy Igor , Kiryanov Aleksey , Skripkina Tatiana
Published: November 2023

Research into extraction kinetics is one of the crucial factors in a technological process. Extraction is used predominantly when working with organic feedstock. The study of the kinetics of extraction of a substance is a complex process, which is influenced by a large number of factors. This paper presents an analysis of one of these factors, namely the influence of reverse sorption on the process of substance release from the matrix. Sorption can directly affect the intraparticle diffusion constants and, consequently, the rate of release of the substance. Using buckwheat husk as an example, its sorption capacity was assessed to assess the sorption factor on the rate of melanin release. To select the optimal parameters of the chemical process, the experiment was carried out at temperatures of 40, 50, and 60 degrees Celsius. The Axelrud and Baker–Lonsdale equations were used to describe the kinetic models.
Bacterial Cultural Media Containing Lipopeptides for Heavy Oil Recovery Enhancement: The Results of Sand-Packed Column Experiment
Authors: Galitskaya Polina , Gordeev Alexander , Ezhkin Nikita , Biktasheva Liliya , Kuryntseva Polina , Selivanovskaya Svetlana
Published: November 2023

Currently, microbial enhanced oil recovery (MEOR) is of great interest because of its potential high efficiency and low environmental impact. Biosurfactants, in the purified form or contained in the bacterial cultural media, are one of the promising directions in MEOR because they are more stable in response to different environmental factors than life microorganisms are. However, the extraction and purification of biosurfactants, as well as their working concentrations and efficacy in real oilfield conditions remain a challenge. In the present work, cultural media of two novel bacterial isolates (Bacillus pumilus and Peribacillus simplex) were used in a model experiment with sand pack columns to enhance the recovery of heavy oil from Romashkino oilfield (Russia). Using FTIR and TLC methods, it was demonstrated that both cultural media contained lipopeptides. In the genome of both bacterial isolates, genes srfAA, fenD and bamC encoding synthesis of surfactin, fengycin, and bacillomycin, respectively, were revealed. The oil recovery efficacy of cell-free cultural media after 24 h of cultivation was 34% higher and 16% lower as compared with synthetic surfactant for B. pumilus and P. simplex, respectively. It can be concluded that the high-cost step of biosurfactants separation and purification may be excluded, and cell free cultural media of the isolates may be directly used in field conditions to enhance the recovery of heavy oils.