bluuebunny/crossref_metadata_2025 huggingface dataset:
Study on Microstructure and Properties of Ultra-thin Cu/Al Composite Sheets Using the Cold-Rolled Composite Method at the Microscale
Authors: Chen Dege , Zhang Hongmei , Li Hongnan , Zhu Rui , Zhu Yuchuan , Jiang Zhengyi
Published: April 2023

In this paper, an ultra-thin Cu/Al composite sheet with a thickness of 0.08 mm was obtained via the cold-rolling composite method using a four-high micro-rolling mill in the laboratory. The rolling reduction of a single pass was 65%. After the annealing of the ultra-thin Cu/Al composite sheets at temperatures ranging from 350 °C to 500 °C, the interface bonding mode of the Cu/Al composite sheets changed from mechanical bonding to metallurgical bonding, and the bonding strength was significantly improved. The microhardness value at the bonding interface of the ultra-thin Cu/Al composite sheets increases with the increase in annealing temperature. When the annealing temperature is 500 °C, the maximum microhardness value at the bonding interface reached 2.0 GPa. With the increase in annealing temperature, the tensile strength and elongation of the ultra-thin Cu/Al composite sheets decreases significantly. The peel strength of the extremely thin Cu/Al composite sheets increases at first and then decreases with the increase in annealing temperature, and reached the maximum value at an annealing temperature of 400 °C. When the annealing temperature was 400 °C, the tensile and peel properties of the ultra-thin Cu/Al composite sheet reached the best state.
Gut Microbiome in Post-COVID-19 Patients Is Linked to Immune and Cardiovascular Health Status but Not COVID-19 Severity
Authors: Tkacheva Olga N. , Klimenko Natalia S. , Kashtanova Daria A. , Tyakht Alexander V. , Maytesyan Lilit V. , Akopyan Anna A. , Koshechkin Stanislav I. , Strazhesko Irina D.
Published: April 2023

The composition of the gut microbiome stores the imprints of prior infections and other impacts. COVID-19 can cause changes in inflammatory status that persist for a considerable time after infection ends. As the gut microbiome is closely associated with immunity and inflammation, the infection severity might be linked to its community structure dynamics. Using 16S rRNA sequencing of stool samples, we investigated the microbiome three months after the end of the disease/infection or SARS-CoV-2 contact in 178 post-COVID-19 patients and those who contacted SARS-CoV-2 but were not infected. The cohort included 3 groups: asymptomatic subjects (n = 48), subjects who contacted COVID-19 patients with no further infection (n = 46), and severe patients (n = 86). Using a novel compositional statistical algorithm (nearest balance) and the concept of bacterial co-occurrence clusters (coops), we compared microbiome compositions between the groups as well as with multiple categories of clinical parameters including: immunity, cardiovascular parameters and markers of endothelial dysfunction, and blood metabolites. Although a number of clinical indicators varied drastically across the three groups, no differences in microbiome features were identified between them at this follow-up point. However, there were multiple associations between the microbiome features and clinical data. Among the immunity parameters, the relative lymphocyte number was linked to a balance including 14 genera. Cardiovascular parameters were associated with up to four bacterial cooperatives. Intercellular adhesion molecule 1 was linked to a balance including ten genera and one cooperative. Among the blood biochemistry parameters, calcium was the only parameter associated with the microbiome via a balance of 16 genera. Our results suggest comparable recovery of the gut community structure in the post-COVID-19 period, independently of severity or infection status. The multiple identified associations of clinical analysis data with the microbiome provide hypotheses about the participation of specific taxa in regulating immunity and homeostasis of cardiovascular and other body systems in health, as well as their disruption in SARS-CoV-2 infections and other diseases.
Mpox Patient Journey in Israel
Authors: Patalon Tal , Perez Galit , Saciuk Yaki , Refaeli Ziva , Gazit Sivan
Published: April 2023

Reports on Mpox have, thus far, characterized the disease, but mostly through a single timepoint view. The aim of this study was to characterize Mpox in the Israeli setting, in general, alongside compiling a detailed patient journey from multiple in-depth interviews with infected individuals. This descriptive study followed two complimentary paths: retrospective and prospective. The first consisted of interviews with Mpox patients, while the retrospective part included the retrieval of anonymized electronic medical records of patients diagnosed with Mpox between May and November 2022. Patient characteristics in Israel were, overall, comparable to global reports. We found that the median time from symptoms to first suspicion of Mpox was 3.5 days, while the median time from the first symptom to a confirmatory test was 6.5 days, which could explain the surge in Israel. The duration of lesions did not alter in terms of their anatomical location, while lower Ct values correlated both with a longer symptom duration and more symptoms. Most patients reported anxiety to a high degree. Clinical trials that consist of a long-term relationship with the medical researchers contribute greatly to a deeper understanding of the patient journey, especially for unfamiliar or stigmatized diseases. Emerging infections, such as Mpox, should be further investigated to assess asymptomatic carriers, especially when rapidly spreading.
Next-Generation Leishmanization: Revisiting Molecular Targets for Selecting Genetically Engineered Live-Attenuated Leishmania
Authors: Moreira Paulo O. L. , Nogueira Paula M. , Monte-Neto Rubens L.
Published: April 2023

Despite decades of research devoted to finding a vaccine against leishmaniasis, we are still lacking a safe and effective vaccine for humans. Given this scenario, the search for a new prophylaxis alternative for controlling leishmaniasis should be a global priority. Inspired by leishmanization—a first generation vaccine strategy where live L. major parasites are inoculated in the skin to protect against reinfection—live-attenuated Leishmania vaccine candidates are promising alternatives due to their robust elicited protective immune response. In addition, they do not cause disease and could provide long-term protection upon challenge with a virulent strain. The discovery of a precise and easy way to perform CRISPR/Cas-based gene editing allowed the selection of safer null mutant live-attenuated Leishmania parasites obtained by gene disruption. Here, we revisited molecular targets associated with the selection of live-attenuated vaccinal strains, discussing their function, their limiting factors and the ideal candidate for the next generation of genetically engineered live-attenuated Leishmania vaccines to control leishmaniasis.
Antibacterial and Photocatalytic Activities of LDH-Based Sorbents of Different Compositions
Authors: Cardinale Anna Maria , Alberti Stefano , Reverberi Andrea Pietro , Catauro Michelina , Ghibaudo Nicolò , Fortunato Marco
Published: April 2023

Layered double hydroxides (LDHs) play a fundamental role in the processes for the abatement of pollutants in water, with reference to heavy metal decontamination. The research on the topic is multiobjective target oriented, aiming at combining environmental remediation with the possibility of reusing a sorbent as many times as possible, turning it into a renewable resource. In this study, the antibacterial and catalytic properties of a ZnAl-SO4 LDH and its resulting product after being subjected to a Cr(VI) remediation process are compared. Both solid substrates have also been tested after undergoing a thermal annealing process. The sorbent (previously described and tested for remediation) has been investigated for its antibacterial activity in view of further surgery and drug delivery applications. Finally, its photocatalytic properties have been experimentally tested in the degradation of a model pollutant, i.e., Methyl Orange (MO), under solar-simulated light. Identifying the best recycling strategy for these materials requires an accurate knowledge of their physicochemical properties. The results show that both the antimicrobial activity and the photocatalytic performance may considerably improve after thermal annealing.
Inoculation with Plant Growth-Promoting Bacteria and Nitrogen Doses Improves Wheat Productivity and Nitrogen Use Efficiency
Authors: Gaspareto Rafaela Neris , Jalal Arshad , Ito William Cesar Nishimoto , Oliveira Carlos Eduardo da Silva , Garcia Cássia Maria de Paula , Boleta Eduardo Henrique Marcandalli , Rosa Poliana Aparecida Leonel , Galindo Fernando Shintate , Buzetti Salatiér , Ghaley Bhim Bahadur , Filho Marcelo Carvalho Minhoto Teixeira
Published: April 2023

Wheat is one of the staple foods of the global population due to its adaptability to a wide range of environments. Nitrogen is one of the crucial limiting factors in wheat production and is considered a challenge to food security. Therefore, sustainable agricultural technologies such as seed inoculation with plant growth-promoting bacteria (PGPBs) can be adopted to promote biological nitrogen fixation (BNF) for higher crop productivity. In this context, the objective of the current study was to evaluate the effects of nitrogen fertilization and seed inoculations with Azospirillum brasilense, Bacillus subtilis and A. brasilense + B. subtilis on agronomic and yield attributes, grain yield, grain N accumulation, N use efficiency and applied N recovery in Brazilian Cerrado, which consists of gramineous woody savanna. The experiment was carried out in two cropping seasons in Rhodic Haplustox soil under a no-tillage system. The experiment was designed in a randomized complete block in a 4 × 5 factorial scheme, with four replications. The treatments consisted of four seed inoculations (control—without inoculation, inoculation with A. brasilense, B. subtilis and A. brasilense + B. subtilis) under five N doses (0, 40, 80, 120 and 160 kg ha−1, applied from urea) at the wheat tillering stage. Seed co-inoculation with A. brasilense + B. subtilis increased grain N accumulation, number of spikes m−1, grains spike−1 and grain yield of wheat in an irrigated no-tillage system of tropical savannah, regardless of the applied N doses. Nitrogen fertilization at a dose of 80 kg ha−1 significantly increased grain N accumulation and number of grains spikes−1 and nitrogen use efficiency. Recovery of applied N was increased with inoculation of B. subtilis and co-inoculation of A. brasilense + B. subtilis at increasing N doses. Therefore, N fertilization can be reduced by the inclusion of co-inoculation with A. brasilense + B. subtilis in the cultivation of winter wheat under a no-tillage system of Brazilian Cerrado.
Special Issue: Advances in SARS-CoV-2 Infection
Authors: Contini Carlo , Rotondo John Charles , Perna Benedetta , Guarino Matteo , De Giorgio Roberto
Published: April 2023

Coronavirus Disease 2019 (COVID-19) is a life-threatening disease caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) virus which was first reported in late 2019 in China, from where it then spread worldwide [...]
Impact of Global Warming on the Severity of Viral Diseases: A Potentially Alarming Threat to Sustainable Aquaculture Worldwide
Authors: Combe Marine , Reverter Miriam , Caruso Domenico , Pepey Elodie , Gozlan Rodolphe Elie
Published: April 2023

With an ever-increasing human population, food security remains a central issue for the coming years. The magnitude of the environmental impacts of food production has motivated the assessment of the environmental and health benefits of shifting diets, from meat to fish and seafood. One of the main concerns for the sustainable development of aquaculture is the emergence and spread of infectious animal diseases in a warming climate. We conducted a meta-analysis to investigate the influence of global warming on mortality due to viral infections in farmed aquatic animals. We found a positive trend between increasing temperature and increasing viral virulence, with an increase in water temperature of 1 °C resulting in an increase in mortality of 1.47–8.33% in OsHV-1 infected oysters, 2.55–6.98% in carps infected with CyHV-3 and 2.18–5.37% in fishes infected with NVVs. We suggest that global warming is going to pose a risk of viral disease outbreaks in aquaculture and could compromise global food security.
Comparison of Radionuclide Impurities Activated during Irradiation of 18O-Enriched Water in Tantalum and Silver Targets during the Production of 18F in a Cyclotron
Authors: Jakubowska Teresa , Długosz-Lisiecka Magdalena , Biegała Michał
Published: April 2023

During the production of 18F, as a result of the interaction of the beam of protons and secondary neutrons with the structural elements of the target body, many radionuclide impurities are created in the cyclotron. As part of this work, we theoretically predicted which isotopes would be activated in the target tantalum or silver bodies. Subsequently, we used gamma spectrometry analysis to verify these predictions. The results were compared with the work of other authors who studied titanium and niobium as materials for making the target body. Tantalum has been evaluated as the most favorable in terms of generating radionuclide impurities during the production of 18F by irradiation of 18O-enriched water in accelerated proton cyclotrons. Only three radionuclides were identified in the tested samples: 181W, 181Hf, and 182Ta with a half-life of fewer than 120 days. The remaining reactions led to the formation of stable isotopes.
Volatile Markers for Cancer in Exhaled Breath—Could They Be the Signature of the Gut Microbiota?
Authors: Bhandari Manohar Prasad , Polaka Inese , Vangravs Reinis , Mezmale Linda , Veliks Viktors , Kirshners Arnis , Mochalski Pawel , Dias-Neto Emmanuel , Leja Marcis
Published: April 2023

It has been shown that the gut microbiota plays a central role in human health and disease. A wide range of volatile metabolites present in exhaled breath have been linked with gut microbiota and proposed as a non-invasive marker for monitoring pathological conditions. The aim of this study was to examine the possible correlation between volatile organic compounds (VOCs) in exhaled breath and the fecal microbiome by multivariate statistical analysis in gastric cancer patients (n = 16) and healthy controls (n = 33). Shotgun metagenomic sequencing was used to characterize the fecal microbiota. Breath-VOC profiles in the same participants were identified by an untargeted gas chromatography–mass spectrometry (GC–MS) technique. A multivariate statistical approach involving a canonical correlation analysis (CCA) and sparse principal component analysis identified the significant relationship between the breath VOCs and fecal microbiota. This relation was found to differ between gastric cancer patients and healthy controls. In 16 cancer cases, 14 distinct metabolites identified from the breath belonging to hydrocarbons, alcohols, aromatics, ketones, ethers, and organosulfur compounds were highly correlated with 33 fecal bacterial taxa (correlation of 0.891, p-value 0.045), whereas in 33 healthy controls, 7 volatile metabolites belonging to alcohols, aldehydes, esters, phenols, and benzamide derivatives correlated with 17 bacterial taxa (correlation of 0.871, p-value 0.0007). This study suggested that the correlation between fecal microbiota and breath VOCs was effective in identifying exhaled volatile metabolites and the functional effects of microbiome, thus helping to understand cancer-related changes and improving the survival and life expectancy in gastric cancer patients.
Unraveling the Mechanism and Practical Implications of the Sol-Gel Synthesis of Spinel LiMn2O4 as a Cathode Material for Li-Ion Batteries: Critical Effects of Cation Distribution at the Matrix Level
Authors: Nyamaa Oyunbayar , Kang Gyeong-Ho , Huh Sun-Chul , Yang Jeong-Hyeon , Nam Tae-Hyun , Noh Jung-Pil
Published: April 2023

Spinel LiMn2O4 (LMO) is a state-of-the-art cathode material for Li-ion batteries. However, the operating voltage and battery life of spinel LMO needs to be improved for application in various modern technologies. Modifying the composition of the spinel LMO material alters its electronic structure, thereby increasing its operating voltage. Additionally, modifying the microstructure of the spinel LMO by controlling the size and distribution of the particles can improve its electrochemical properties. In this study, we elucidate the sol-gel synthesis mechanisms of two common types of sol-gels (modified and unmodified metal complexes)—chelate gel and organic polymeric gel—and investigate their structural and morphological properties and electrochemical performances. This study highlights that uniform distribution of cations during sol-gel formation is important for the growth of LMO crystals. Furthermore, a homogeneous multicomponent sol-gel, necessary to ensure that no conflicting morphologies and structures would degrade the electrochemical performances, can be obtained when the sol-gel has a polymer-like structure and uniformly bound ions; this can be achieved by using additional multifunctional reagents, namely cross-linkers.
Performance of Rod-Shaped Ce Metal–Organic Frameworks for Defluoridation
Authors: Song Jiangyan , Yang Weisen , Han Xiaoshuai , Jiang Shaohua , Zhang Chunmei , Pan Wenbin , Jian Shaoju , Hu Jiapeng
Published: April 2023

The performance of a Ce(III)-4,4′,4″-((1,3,5-triazine-2,4,6-triyl) tris (azanediyl)) tribenzoic acid–organic framework (Ce-H3TATAB-MOFs) for capturing excess fluoride in aqueous solutions and its subsequent defluoridation was investigated in depth. The optimal sorption capacity was obtained with a metal/organic ligand molar ratio of 1:1. The morphological characteristics, crystalline shape, functional groups, and pore structure of the material were analyzed via SEM, XRD, FTIR, XPS, and N2 adsorption–desorption experiments, and the thermodynamics, kinetics, and adsorption mechanism were elucidated. The influence of pH and co-existing ions for defluoridation performance were also sought. The results show that Ce-H3TATAB-MOFs is a mesoporous material with good crystallinity, and that quasi-second kinetic and Langmuir models can describe the sorption kinetics and thermodynamics well, demonstrating that the entire sorption process is a monolayer-governed chemisorption. The Langmuir maximum sorption capacity was 129.7 mg g−1 at 318 K (pH = 4). The adsorption mechanism involves ligand exchange, electrostatic interaction, and surface complexation. The best removal effect was reached at pH 4, and a removal effectiveness of 76.57% was obtained under strongly alkaline conditions (pH 10), indicating that the adsorbent has a wide range of applications. Ionic interference experiments showed that the presence of PO43− and H2PO4− in water have an inhibitory effect on defluoridation, whereas SO42−, Cl−, CO32−, and NO3− are conducive to the adsorption of fluoride due to the ionic effect.
Nanotechnology Lighting the Way for Gene Therapy in Ophthalmopathy: From Opportunities toward Applications
Authors: Ren Weiming , Duan Suyang , Dai Chao , Xie Chunbao , Jiang Lingxi , Shi Yi
Published: April 2023

Hereditary ophthalmopathy is a well-described threat to human visual health affecting millions of people. Gene therapy for ophthalmopathy has received widespread attention with the increasing understanding of pathogenic genes. Effective and safe delivery of accurate nucleic acid drugs (NADs) is the core of gene therapy. Efficient nanodelivery and nanomodification technologies, appropriate targeted genes, and the choice of drug injection methods are the guiding lights of gene therapy. Compared with traditional drugs, NADs can specifically change the expression of specific genes or restore the normal function of mutant genes. Nanodelivery carriers can improve targeting and nanomodification can improve the stability of NADs. Therefore, NADs, which can fundamentally solve pathogeny, hold great promise in the treatment of ophthalmopathy. This paper reviews the limitations of ocular disease treatment, discusses the classification of NADs in ophthalmology, reveals the delivery strategies of NADs to improve bioavailability, targeting, and stability, and summarizes the mechanisms of NADs in ophthalmopathy.
Determination of Some Isoquinoline Alkaloids in Extracts Obtained from Selected Plants of the Ranunculaceae, Papaveraceae and Fumarioideae Families by Liquid Chromatography and In Vitro and In Vivo Investigations of Their Cytotoxic Activity
Authors: Misiurek Justyna , Plech Tomasz , Kaproń Barbara , Makuch-Kocka Anna , Szultka-Młyńska Małgorzata , Buszewski Bogusław , Petruczynik Anna
Published: April 2023

Alkaloids are heterocyclic bases with widespread occurrence in nature. Plants are rich and easily accessible sources of them. Most isoquinoline alkaloids have cytotoxic activity for different types of cancer, including malignant melanoma, the most aggressive type of skin cancer. The morbidity of melanoma has increased worldwide every year. For that reason, developing new candidates for anti–melanoma drugs is highly needed. The aim of this study was to investigate the alkaloid compositions of plant extracts obtained from Macleaya cordata root, stem and leaves, Pseudofumaria lutea root and herb, Lamprocapnos spectabilis root and herb, Fumaria officinalis whole plant, Thalictrum foetidum root and herb, and Meconopsis cambrica root and herb by HPLC-DAD and LC-MS/MS. For determination of cytotoxic properties, human malignant melanoma cell line A375, human Caucasian malignant melanoma cell line G-361, and human malignant melanoma cell line SK-MEL-3 were exposed in vitro to the tested plant extracts. Based on the in vitro experiments, Lamprocapnos spectabilis herb extract was selected for further, in vivo research. The toxicity of the extract obtained from Lamprocapnos spectabilis herb was tested using an animal zebrafish model in the fish embryo toxicity test (FET) for determination of the LC50 value and non-toxic doses. Determination of the influence of the investigated extract on the number of cancer cells in a living organism was performed using a zebrafish xenograft model. Determination of the contents of selected alkaloids in different plant extracts was performed using high performance liquid chromatography (HPLC) in a reverse-phase system (RP) on a Polar RP column with a mobile phase containing acetonitrile, water and ionic liquid. The presence of these alkaloids in plant extracts was confirmed by LC-MS/MS. Preliminary cytotoxic activity of all prepared plant extracts and selected alkaloid standards was examined using human skin cancer cell lines A375, G-361, and SK-MEL-3. The cytotoxicity of the investigated extract was determined in vitro by cell viability assays (MTT). For in vivo determination of investigated extract cytotoxicity, a Danio rerio larvae xenograft model was used. All investigated plant extracts in in vitro experiments exhibited high cytotoxic activity against the tested cancer cell lines. The results obtained using the Danio rerio larvae xenograft model confirmed the anticancer activity of the extract obtained from Lamprocapnos spectabilis herb. The conducted research provides a basis for future investigations of these plant extracts for potential use in the treatment of malignant melanoma.
Fulvic Acid Attenuates Atopic Dermatitis by Downregulating CCL17/22
Authors: Wu Chenxi , Lyu Anqi , Shan Shijun
Published: April 2023

The main pathogenic factor in atopic dermatitis (AD) is Th2 inflammation, and levels of serum CCL17 and CCL22 are related to severity in AD patients. Fulvic acid (FA) is a kind of natural humic acid with anti-inflammatory, antibacterial, and immunomodulatory effects. Our experiments demonstrated the therapeutic effect of FA on AD mice and revealed some potential mechanisms. FA was shown to reduce TARC/CCL17 and MDC/CCL22 expression in HaCaT cells stimulated by TNF-α and IFN-γ. The inhibitors showed that FA inhibits CCL17 and CCL22 production by deactivating the p38 MAPK and JNK pathways. After 2,4-dinitrochlorobenzene (DNCB) induction in mice with atopic dermatitis, FA effectively reduced the symptoms and serum levels of CCL17 and CCL22. In conclusion, topical FA attenuated AD via downregulation of CCL17 and CCL22, via inhibition of P38 MAPK and JNK phosphorylation, and FA is a potential therapeutic agent for AD.
An Efficient Synthesis of Oxygen-Bridged Spirooxindoles via Microwave-Promoted Multicomponent Reaction
Authors: Shi Yaojing , Zhao Hua , Zhao Yufen
Published: April 2023

A microwave-promoted multicomponent reaction of isatins, α-amino acids and 1,4-dihydro-1,4-epoxynaphthalene is achieved under environmentally friendly conditions, delivering oxygen-bridged spirooxindoles within 15 min in good to excellent yields. The attractive features of the 1,3-dipolar cycloaddition are the compatibility of various primary amino acids and the high efficiency of the short reaction time. Moreover, the scale-up reaction and synthetic transformations of spiropyrrolidine oxindole further demonstrate its synthetic utility. This work provides powerful means to expand the structural diversity of spirooxindole as a promising scaffold for novel drug discovery.
Development and Characterization of New Green Propolis Extract Formulations as Promising Candidates to Substitute for Green Propolis Hydroalcoholic Extract
Authors: Berretta Andresa Aparecida , Zamarrenho Luana Gonçalves , Correa Juliana Arcadepani , De Lima Jéssica Aparecida , Borini Giovanna Bonfante , Ambrósio Sérgio Ricardo , Barud Hernane da Silva , Bastos Jairo Kenupp , De Jong David
Published: April 2023

The technologies used to produce the different dosage forms of propolis can selectively affect the original propolis compounds and their biological activities. The most common type of propolis extract is hydroethanolic. However, there is considerable demand for ethanol-free propolis presentations, including stable powder forms. Three propolis extract formulations were developed and investigated for chemical composition and antioxidant and antimicrobial activity: polar propolis fraction (PPF), soluble propolis dry extract (PSDE), and microencapsulated propolis extract (MPE). The different technologies used to produce the extracts affected their physical appearance, chemical profile, and biological activity. PPF was found to contain mainly caffeic and p-Coumaric acid, while PSDE and MPE showed a chemical fingerprint closer to the original green propolis hydroalcoholic extract used. MPE, a fine powder (40% propolis in gum Arabic), was readily dispersible in water, and had less intense flavor, taste, and color than PSDE. PSDE, a fine powder (80% propolis) in maltodextrin as a carrier, was perfectly water-soluble and could be used in liquid formulations; it is transparent and has a strong bitter taste. PPF, a purified solid with large amounts of caffeic and p-Coumaric acids, had the highest antioxidant and antimicrobial activity, and therefore merits further study. PSDE and MPE had antioxidant and antimicrobial properties and could be used in products tailored to specific needs.
Lignin-Based Catalysts for C–C Bond-Forming Reactions
Authors: Martín Cristina del Mar García , García José Ignacio Hernández , Bonardd Sebastián , Díaz David Díaz
Published: April 2023

Carbon–carbon (C–C) bond formation is the key reaction in organic synthesis to construct the carbon framework of organic molecules. The continuous shift of science and technology toward eco-friendly and sustainable resources and processes has stimulated the development of catalytic processes for C–C bond formation based on the use of renewable resources. In this context, and among other biopolymer-based materials, lignin has attracted scientific attention in the field of catalysis during the last decade, either through its acid form or as a support for metal ions and metal nanoparticles that drive the catalytic activity. Its heterogeneous nature, as well as its facile preparation and low cost, provide competitive advantages over other homogeneous catalysts. In this review, we have summarized a variety of C–C formation reactions, such as condensations, Michael additions of indoles, and Pd-mediated cross-coupling reactions that were successfully carried out in the presence of lignin-based catalysts. These examples also involve the successful recovery and reuse of the catalyst after the reaction.
Synergy of Small Antiviral Molecules on a Black-Phosphorus Nanocarrier: Machine Learning and Quantum Chemical Simulation Insights
Authors: Laref Slimane , Harrou Fouzi , Wang Bin , Sun Ying , Laref Amel , Laleg-Kirati Taous-Meriem , Gojobori Takashi , Gao Xin
Published: April 2023

Favipiravir (FP) and Ebselen (EB) belong to a broad range of antiviral drugs that have shown active potential as medications against many viruses. Employing molecular dynamics simulations and machine learning (ML) combined with van der Waals density functional theory, we have uncovered the binding characteristics of these two antiviral drugs on a phosphorene nanocarrier. Herein, by using four different machine learning models (i.e., Bagged Trees, Gaussian Process Regression (GPR), Support Vector Regression (SVR), and Regression Trees (RT)), the Hamiltonian and the interaction energy of antiviral molecules in a phosphorene monolayer are trained in an appropriate way. However, training efficient and accurate models for approximating the density functional theory (DFT) is the final step in using ML to aid in the design of new drugs. To improve the prediction accuracy, the Bayesian optimization approach has been employed to optimize the GPR, SVR, RT, and BT models. Results revealed that the GPR model obtained superior prediction performance with an R2 of 0.9649, indicating that it can explain 96.49% of the data’s variability. Then, by means of DFT calculations, we examine the interaction characteristics and thermodynamic properties in a vacuum and a continuum solvent interface. These results illustrate that the hybrid drug is an enabled, functionalized 2D complex with vigorous thermostability. The change in Gibbs free energy at different surface charges and temperatures implies that the FP and EB molecules are allowed to adsorb from the gas phase onto the 2D monolayer at different pH conditions and high temperatures. The results reveal a valuable antiviral drug therapy loaded by 2D biomaterials that may possibly open a new way of auto-treating different diseases, such as SARS-CoV, in primary terms.
Increasing Protein Content of Rice Flour with Maintained Processability by Using Granular Starch Hydrolyzing Enzyme
Authors: Zhai Jinxing , Li Xiaoxiao , Svensson Birte , Jin Zhengyu , Bai Yuxiang
Published: April 2023

Rice flour (RF) has become a promising food material. In the present study, RF with higher protein content was prepared using a granular starch hydrolyzing enzyme (GSHE). Particle size, morphology, crystallinity, and molecular structures of RF and rice starch (RS) were characterized to establish a hydrolytic mechanism; thermal, pasting, and rheological properties were determined to evaluate processability using differential scanning calorimetry (DSC), rapid viscosity analysis (RVA), and rheometer, respectively. The GSHE treatment resulted in pinholes, pits, and surface erosion through sequential hydrolysis of crystalline and amorphous areas on the starch granule surface. The amylose content decreased with hydrolysis time, while the very short chains (DP < 6) increased rapidly at 3 h but decreased slightly later. After hydrolysis for 24 h, the protein content in RF increased from 8.52% to 13.17%. However, the processability of RF was properly maintained. Specifically, the data from DSC showed that the conclusion temperature and endothermic enthalpy of RS barely changed. The result of rapid RVA and rheological measurement indicated that RF paste viscosity and viscoelastic properties dropped rapidly after 1 h hydrolysis and thereafter recovered slightly. This study provided a new RF raw material useful for improving and developing RF-based foods.
“Emerging Food Processing and Novel Approaches for Extraction and Application of Bioactive Compounds”: Special Issue Editorial Overview
Authors: Gavahian Mohsen , Hsieh Changwei
Published: April 2023

The guest editors Mohsen Gavahian and Changwei Hsieh are pleased to present the editorial overview of the Special Issue entitled “Emerging Food Processing and Novel Approaches for Extraction and Application of Bioactive Compounds” [...]
Asymmetric Reactions of N-Phosphonyl/Phosphoryl Imines
Authors: Ray Devalina , Majee Suman , Yadav Ram Naresh , Banik Bimal Krishna
Published: April 2023

The asymmetric reactions of imines continued to attract the attention of the scientific community for decades. However, the stereoselective reactions of N-phosphonyl/phosphoryl imines remained less explored as compared to other N-substituted imines. The chiral auxiliary-based asymmetric-induction strategy with N-phosphonyl imines could effectively generate enantio- and diastereomeric amine, α,β-diamine, and other products through various reactions. On the other hand, the asymmetric approach for the generation of chirality through the utilization of optically active ligands, along with metal catalysts, could be successfully implemented on N-phosphonyl/phosphoryl imines to access numerous synthetically challenging chiral amine scaffolds. The current review critically summarizes and reveals the literature precedence of more than a decade to highlight the major achievements existing to date that can display a clear picture of advancement as well drawbacks in this area.
Promising M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) Heterostructures for Multifunctional Solar Energy Applications
Authors: Wen Jiansen , Cai Qi , Xiong Rui , Cui Zhou , Zhang Yinggan , He Zhihan , Liu Junchao , Lin Maohua , Wen Cuilian , Wu Bo , Sa Baisheng
Published: April 2023

Two-dimensional van der Waals (vdW) heterostructures are potential candidates for clean energy conversion materials to address the global energy crisis and environmental issues. In this work, we have comprehensively studied the geometrical, electronic, and optical properties of M2CO2/MoX2 (M = Hf, Zr; X = S, Se, Te) vdW heterostructures, as well as their applications in the fields of photocatalytic and photovoltaic using density functional theory calculations. The lattice dynamic and thermal stabilities of designed M2CO2/MoX2 heterostructures are confirmed. Interestingly, all the M2CO2/MoX2 heterostructures exhibit intrinsic type-II band structure features, which effectively inhibit the electron-hole pair recombination and enhance the photocatalytic performance. Furthermore, the internal built-in electric field and high anisotropic carrier mobility can separate the photo-generated carriers efficiently. It is noted that M2CO2/MoX2 heterostructures exhibit suitable band gaps in comparison to the M2CO2 and MoX2 monolayers, which enhance the optical-harvesting abilities in the visible and ultraviolet light zones. Zr2CO2/MoSe2 and Hf2CO2/MoSe2 heterostructures possess suitable band edge positions to provide the competent driving force for water splitting as photocatalysts. In addition, Hf2CO2/MoS2 and Zr2CO2/MoS2 heterostructures deliver a power conversion efficiency of 19.75% and 17.13% for solar cell applications, respectively. These results pave the way for exploring efficient MXenes/TMDCs vdW heterostructures as photocatalytic and photovoltaic materials.
Rational Design of Disulfide Bridges in BbPETaseCD for Enhancing the Enzymatic Performance in PET Degradation
Authors: Huang Dongjian , Zhang Lin , Sun Yan
Published: April 2023

Polyethylene terephthalate (PET) is one of the most prevalent transparent thermoplastics. It is commonly utilized due to its low cost and high durability. With the massive accumulation of waste PET, however, serious environmental pollution has become a global problem. Compared to traditional chemical degradation, biodegradation of PET catalyzed by PET hydrolase (PETase) is more environmentally friendly and energy-efficient. BbPETaseCD from the Burkholderiales bacterium is a PETase that shows favorable properties for application in the biodegradation of PET. To enhance the enzymatic performance of this enzyme, this work focuses on the rational design of disulfide bridges in BbPETaseCD. We utilized two computational algorithms to predict the probable disulfide-bridge mutations in BbPETaseCD, and five variants were acquired from the computations. Among these, the N364C/D418C variant with one additional disulfide bond showed higher expression than the wild-type enzyme (WT) and the best enzymatic performance. The melting temperature (Tm) of the N364C/D418C variant presented an increase of 14.8 °C over that of WT (56.5 °C), indicating that the additional disulfide bond significantly raised the thermodynamic stability of the enzyme. Kinetic experiments at different temperatures also demonstrated the thermal stability increase of the variant. The variant also showed significantly increased activity over WT when using bis(hydroxyethyl) terephthalate (BHET) as the substrate. More remarkably, the N364C/D418C variant exhibited approximately an 11-fold increase over the WT enzyme in the long-term (14 days) degradation of PET films. The results prove that the rationally designed disulfide bond significantly improved the enzymatic performance of the enzyme for PET degradation.
Recent Developments in Reactions and Catalysis of Protic Pyrazole Complexes
Authors: Lin Wei-Syuan , Kuwata Shigeki
Published: April 2023

Protic pyrazoles (N-unsubstituted pyrazoles) have been versatile ligands in various fields, such as materials chemistry and homogeneous catalysis, owing to their proton-responsive nature. This review provides an overview of the reactivities of protic pyrazole complexes. The coordination chemistry of pincer-type 2,6-bis(1H-pyrazol-3-yl)pyridines is first surveyed as a class of compounds for which significant advances have made in the last decade. The stoichiometric reactivities of protic pyrazole complexes with inorganic nitrogenous compounds are then described, which possibly relates to the inorganic nitrogen cycle in nature. The last part of this article is devoted to outlining the catalytic application of protic pyrazole complexes, emphasizing the mechanistic aspect. The role of the NH group in the protic pyrazole ligand and resulting metal–ligand cooperation in these transformations are discussed.
First Report on Detection and Complete Genomic Analysis of a Novel CRESS DNA Virus from Sea Turtles
Authors: Gainor Kerry , Stewart Kimberly M. , Picknell Angela , Russ Morgan , Makela Noah , Watson Kierra , Mancuso Diana M. , Malik Yashpal Singh , Ghosh Souvik
Published: April 2023

To date, only a handful of viruses have been identified in sea turtles. Although eukaryotic circular Rep (replication initiation protein)-encoding single-stranded DNA (CRESS DNA) viruses have been reported from a wide variety of terrestrial species, and some of these viruses have been associated with clinical conditions in certain animals, limited information is available on CRESS DNA viruses from marine life. The present study aimed to investigate the presence of CRESS DNA viruses in sea turtles. In the present study, two (samples T3 and T33) of the 34 cloacal samples from 31 sea turtles (found in ocean waters around the Caribbean Islands of St. Kitts and Nevis) tested positive for CRESS DNA viruses by a pan-rep nested PCR assay. The partial Rep sequence of T3 shared 75.78% of a deduced amino acid (aa) identity with that of a CRESS DNA virus (classified under family Circoviridae) from a mollusk. On the other hand, the complete genome (2428 bp) of T33 was determined by an inverse nested PCR assay. The genomic organization of T33 mirrored those of type II CRESS DNA viral genomes of cycloviruses, characterized by the putative “origin of replication” in the 5’-intergenic region, and the putative Capsid (Cap)- and Rep-encoding open reading frame on the virion-sense- and antisense-strand, respectively. The putative Rep (322 aa) of T33 retained the conserved “HUH endonuclease” and the “super 3 family helicase” domains and shared pairwise aa identities of ~57% with unclassified CRESS DNA viruses from benthic sediment and mollusks. Phylogenetically, the T33 Rep formed a distinct branch within an isolated cluster of unclassified CRESS DNA viruses. The putative Cap (370 aa) of T33 shared maximum pairwise aa identity of 30.51% with an unclassified CRESS DNA virus from a capybara. Except for a blood sample from T33 that tested negative for CRESS DNA viruses, other tissue samples were not available from the sea turtles. Therefore, we could not establish whether the T3 and T33 viral strains infected the sea turtles or were of dietary origin. To our knowledge, this is the first report on the detection of CRESS DNA viruses from sea turtles, adding yet another animal species to the rapidly expanding host range of these viruses. Complete genome analysis of T33 identified a novel, unclassified CRESS DNA virus, providing insights into the high genetic diversity between viruses within the phylum Cressdnaviricota. Considering that sea turtles are an at-risk species, extensive studies on virus discovery, surveillance, and pathogenesis in these marine animals are of the utmost importance.
An Integrated Multidisciplinary Circuit Led by Hospital and Community Pharmacists to Implement Clopidogrel Pharmacogenetics in Clinical Practice
Authors: Mir Joan Francesc , Rodríguez-Caba Cristina , Estrada-Campmany Maria , Fernández de Gamarra-Martínez Edurne , Mangues Maria Antònia , Bagaría Guillermo , Riera Pau
Published: April 2023

The use of pharmacogenetics to optimize pharmacotherapy is growing rapidly. This study evaluates the feasibility and operability of a collaborative circuit involving hospital and community pharmacists to implement clopidogrel pharmacogenetics in Barcelona, Catalonia, Spain. We aimed to enroll patients with a clopidogrel prescription from cardiologists at the collaborating hospital. Community pharmacists collected patients’ pharmacotherapeutic profiles and saliva samples, which were then sent to the hospital for CYP2C19 genotyping. Hospital pharmacists collated the obtained data with patients’ clinical records. Data were analyzed jointly with a cardiologist to assess the suitability of clopidogrel. The provincial pharmacists’ association coordinated the project and provided IT and logistic support. The study began in January 2020. However, it was suspended in March 2020 due to the COVID-19 pandemic. At that moment, 120 patients had been assessed, 16 of whom met the inclusion criteria and were enrolled in the study. The processing of samples obtained before the pandemic had an average delay of 13.8 ± 5.4 days. A total of 37.5% patients were intermediate metabolizers and 18.8% were ultrarapid metabolizers. No poor metabolizers were detected. Pharmacists rated their experience with a 7.3 ± 2.7 likelihood of recommending that fellow pharmacists participate. The net promoter score among participating pharmacists was +10%. Our results show that the circuit is feasible and operable for further initiatives.
Highly Efficient Solution-Processed Bluish-Green Thermally Activated Delayed Fluorescence Compounds Using Di(pyridin-3-yl)methanone as Acceptor
Authors: He Yuting , Zhang Cheng , Yan Hao , Chai Yongshuai , Zhou Deyun
Published: April 2023

Solution-processed devices with thermally activated delayed fluorescence (TADF) compounds have gained great attention due to their low cost and high performance. Here, two solution-processable TADF emitters named ACCz-DPyM and POxCz-DPyM were synthesized by coupled 9,10-dihydro-9,9-dimethylacridine or phenoxazine modified carbazole as donor with di(pyridin-3-yl)methanone as acceptor. Both TADF compounds show same small ΔΕST of 0.04 eV and high PLQY of 66.2% and 58.2%. The devices fabricated by ACCz-DPyM and POxCz-DPyM as emitters show excellent performance as solution-processed with low turn-on voltage of 4.0 and 3.4 V, high luminance of 6209 and 3248 cd m−2 at 8 V, the maximum current efficiency of 9.9 and 15.9 cd A−1, the maximum external quantum efficiency of 6.6% and 6.5% and low efficiency roll-off. The solution-processed device based on ACCz-DPyM shows bluish-green emission. These results show that ACCz-DPyM and POxCz-DPyM are suitable for solution processing devices.
Optical Attenuation Coefficient Optimization Algorithm for Deep Tissue Signals in Optical Coherence Tomography Based on Kalman Filter
Authors: Liu Jian , Chen Yanyu , He Yang , Lu Nan , Yang Dongni , Tian Yu , Yu Yao , Zhao Yuqian , Wang Yi , Ma Zhenhe
Published: April 2023

Optical coherence tomography (OCT) attenuation imaging is a technique that uses the optical attenuation coefficient (OAC) to distinguish the types or pathological states of tissues and has been increasingly used in basic research and clinical diagnosis. With the increasing application of swept-source OCT, scholars are increasingly inclined to explore deep tissues. Unfortunately, the accuracy of OAC calculation when exploring deep tissues has yet to be improved. Existing methods generally have the following problems: overestimation error, underestimation error, severe fluctuation, or stripe artifacts in the OAC calculation of the OCT tail signal. The main reason for this is that the influence of the noise floor on the OCT weak signal at the tail-end is not paid enough attention. The noise floor can change the attenuation pattern of the OCT tail signal, which can lead to severe errors in the OAC. In this paper, we proposed a Kalman filter-based OAC optimal algorithm to solve this problem. This algorithm can not only eliminate the influence of the noise floor, but can also effectively protect the weak signal at the tail-end from being lost. The OAC of deep tissues can be calculated accurately and stably. Numerical simulation, phantom, and in vivo experiments were tested to verify the algorithm’s effectiveness in this paper. This technology is expected to play an essential role in disease diagnosis and in the evaluation of the effectiveness of treatment methods.
Irrigation Scheduling for Maize under Different Hydrological Years in Heilongjiang Province, China
Authors: Nie Tangzhe , Gong Zhenping , Zhang Zhongxue , Wang Tianyi , Sun Nan , Tang Yi , Chen Peng , Li Tiecheng , Yin Shuai , Zhang Mengmeng , Jiang Siwen
Published: April 2023

Appropriate irrigation schedules could minimize the existing imbalance between agricultural water supply and crop water requirements (ETc), which is severely impacted by climate change. In this study, different hydrological years (a wet year, normal year, dry year, and an extremely dry year) in Heilongjiang Province were calculated by hydrological frequency methods. Then, the single crop coefficient method was used to calculate the maize ETc, based on the daily meteorological data of 26 meteorological stations in Heilongjiang Province from 1960 to 2020. Afterward, the CROPWAT model was used to calculate the effective precipitation (Pe) and irrigation water requirement (Ir), and formulate the irrigation schedules of maize in Heilongjiang Province under different hydrological years. The results showed that ETc and Ir decreased first and then increased from west to east. The Pe and crop water surplus deficit index increased first and then decreased from west to east in Heilongjiang Province. Meanwhile, the average values of the Ir in were 171.14 mm, 232.79 mm, 279.08 mm, and 334.47 mm in the wet year, normal year, dry year, and extremely dry year, respectively. Heilongjiang Province was divided into four irrigation zones according to the Ir of different hydrological years. Last, the irrigation quotas for the wet year, normal year, dry year, and extremely dry year were 0~180 mm, 20~240 mm, 60~300 mm, and 80~430 mm, respectively. This study provides reliable support for maize irrigation practices in Heilongjiang Province, China.