bluuebunny/crossref_metadata_2025 huggingface dataset:
Tungsten Molecular Species in Deuterium Plasmas in Contact with Sputtered W Surfaces
Authors: Dinescu Gheorghe , Craciun Cristina , Stoica Silviu Daniel , Constantin Catalin , Mitu Bogdana Maria , Acsente Tomy
Published: July 2024

We show that in plasmas generated in deuterium in the presence of sputtered W surfaces, various molecular tungsten species are formed, whose chemical composition depends on the presence of gaseous impurities, namely, nitrogen, oxygen, and hydrogen. A magnetron discharge was used for plasma sustaining, and the species were investigated by mass spectrometry and optical emission spectroscopy. The identified tungsten-containing molecules are described by the chemical formula WOxNyDzHt, where x = 0–4, y = 0–3, z = 0–3, t = 0–5. Presumptively, even higher mass tungsten molecular species are present in plasma, which were not detected because of the limitation of the spectrometer measurement range to 300 amu. The presence of these molecules will likely impact the W particle balance and dust formation mechanisms in fusion plasmas.
Mesoporous Silica with an Alveolar Construction Obtained by Eco-Friendly Treatment of Rice Husks
Authors: Popova Margarita , Mitova Violeta , Dimitrov Momtchil , Rosmini Consolato , Tsacheva Ivelina , Shestakova Pavletta , Karashanova Daniela , Karadjova Irina , Koseva Neli
Published: July 2024

The high silicon content in rice plant waste, specifically rice husks, makes this waste by-product attractive for the extraction and valorization of silicon oxide, which is widely used as an inert support in catalysis, drug delivery and molecular sieving. The procedures currently used for the treatment of plant biomass make extensive use of mineral acids (HCl, H2SO4, HNO3), which, besides them being potential environmental pollutants, reduce the yield and worsen the chemical-physical properties of the product. In this study, an evaluation of the easy treatment of rice husks by benchmarking different, more eco-friendly carboxylic acids in order to obtain a mesoporous SiO2 with an alveolar structure and a relatively high surface area and pore volume (300–420 m2/g, 0.37–0.46 cm3/g) is presented. The obtained mesoporous silicas are characterized by worm-like pores with a narrow size distribution and a maximum in the range of 3.4–3.5 nm. The mesoporous structure of the obtained materials was also confirmed by TEM. The complete removal of the organic part of the rice husks in the final materials was evidenced by thermogravimetric analysis. The high purity of the obtained mesoporous silica was detected using ICP analysis (98.8 wt. %). The structure peculiarities of the obtained mesoporous silicas were also characterized by solid-state NMR and ATR-FTIR spectroscopies. The morphology of the mesoporous silica was investigated by SEM.
Effect of Sterilization Methods on Chemical and Physical-Mechanical Properties of Cotton Compresses
Authors: Somogyi Škoc Maja , Juran Jana , Rezić Iva
Published: July 2024

The aim of this work was to determine the changes in the chemical and physical-mechanical properties of gauze compresses under the influence of various sterilizations. Gauze compresses are made of cotton; therefore, all methods used focused on cotton. The methods used to test possible damage to cotton materials (pH value (pH paper, KI starch paper), yellowing test, Fehling reaction, reaction to the formation of Turnbull blue (Berlin blue), microscopic staining with methylene blue and swelling reaction with Na-zincate) did not show that the sterilizations affected the cotton compresses. The morphological characteristics were examined with a scanning electron microscope (SEM). The SEM images showed that there were no morphological changes in the cotton fibers. FTIR-ATR spectroscopy revealed that the sterilization processes did not alter the characteristic bands of the cotton. The length of the macromolecules was increased (DP), showing that the sterilization processes had affected the cotton. The results of the wet strength test followed. The samples showed values below 100%, with the exception of two samples. It is known from theory that the relative wet strength is less than 100% when the material is damaged. The t-test performed on the strength results showed that the p-value was greater than 0.05 for all samples tested, with the exception of one sample. The degree of swelling capacity was determined, with non-sterilized samples having the highest capacity, followed by samples sterilized with ethylene oxide and then samples sterilized by steam sterilization. The results obtained are a contribution to the innovation of the topic of this work and a scientific confirmation for manufacturers and anyone interested in the influence of the sterilization process on natural fibers (cotton).
Advancing Adsorption and Separation with Modified SBA-15: A Comprehensive Review and Future Perspectives
Authors: Liang Binjun , Zhu Pingxin , Gu Jihan , Yuan Weiquan , Xiao Bin , Hu Haixiang , Rao Mingjun
Published: July 2024

Mesoporous silica SBA-15 has emerged as a promising adsorbent and separation material due to its unique structural and physicochemical properties. To further enhance its performance, various surface modification strategies, including metal oxide and noble metal incorporation for improved catalytic activity and stability, organic functionalization with amino and thiol groups for enhanced adsorption capacity and selectivity, and inorganic–organic composite modification for synergistic effects, have been extensively explored. This review provides a comprehensive overview of the recent advances in the surface modification of SBA-15 for adsorption and separation applications. The synthesis methods, structural properties, and advantages of SBA-15 are discussed, followed by a detailed analysis of the different modification strategies and their structure–performance relationships. The adsorption and separation performance of functionalized SBA-15 materials in the removal of organic pollutants, heavy metal ions, gases, and biomolecules, as well as in chromatographic and solid–liquid separation, is critically evaluated. Despite the significant progress, challenges and opportunities for future research are identified, including the development of low-cost and sustainable synthesis routes, rational design of SBA-15-based materials with tailored properties, and integration into practical applications. This review aims to guide future research efforts in developing advanced SBA-15-based materials for sustainable environmental and industrial applications, with an emphasis on green and scalable modification strategies.
Dual-Functionalized Mesoporous Silica Nanoparticles for Celecoxib Delivery: Amine Grafting and Imidazolyl PEI Gatekeepers for Enhanced Loading and Controlled Release with Reduced Toxicity
Authors: Mudhakir Diky , Sadaqa Ebrahim , Permana Zuliar , Mumtazah Jihan Eldia , Zefrina Normalita Faraz , Xeliem Jovinka Natalie , Hanum Latifa Fawzia , Kurniati Neng Fisheri
Published: July 2024

The development of targeted drug delivery systems has been a pivotal area in nanomedicine, addressing challenges like low drug loading capacity, uncontrolled release, and systemic toxicity. This study aims to develop and evaluate dual-functionalized mesoporous silica nanoparticles (MSN) for targeted delivery of celecoxib, enhancing drug loading, achieving controlled release, and reducing systemic toxicity through amine grafting and imidazolyl polyethyleneimine (PEI) gatekeepers. MSN were synthesized using the sol–gel method and functionalized with (3-aminopropyl) triethoxysilane (APTES) to create amine-grafted MSN (MSN-NH2). Celecoxib was loaded into MSN-NH2, followed by conjugation of imidazole-functionalized PEI (IP) gatekeepers synthesized via carbodiimide coupling. Characterization was conducted using Fourier-transform infrared spectroscopy (FTIR) and proton nuclear magnetic resonance (1H-NMR). Drug loading capacity, entrapment efficiency, and in vitro drug release at pH 5.5 and 7.4 were evaluated. Cytotoxicity was assessed using the MTT assay on RAW 264.7 macrophages. The synthesized IP was confirmed by FTIR and 1H-NMR. Amine-grafted MSN demonstrated a celecoxib loading capacity of 12.91 ± 2.02%, 2.1 times higher than non-functionalized MSN. In vitro release studies showed pH-responsive behavior with significantly higher celecoxib release from MSN-NH2-celecoxib-IP at pH 5.5 compared to pH 7.4, achieving a 33% increase in release rate within 2 h. Cytotoxicity tests indicated significantly higher cell viability for IP-treated cells compared to PEI-treated cells, confirming reduced toxicity. The dual-functionalization of MSN with amine grafting and imidazolyl PEI gatekeepers enhances celecoxib loading and provides controlled pH-responsive drug release while reducing systemic toxicity. These findings highlight the potential of this advanced drug delivery system for targeted anti-inflammatory and anticancer therapies.
Inhibition of DNA Topoisomerase Ι by Flavonoids and Polyacetylenes Isolated from Bidens pilosa L.
Authors: Zeng Guiyuan , Wang Yinyue , Zhu Meihua , Yi Jumei , Ma Junjie , Yang Bijuan , Sun Weiqing , Dai Fang , Yin Junlin , Zeng Guangzhi
Published: July 2024

Human DNA topoisomerase I (Topo I) is an essential enzyme in regulating DNA supercoiling during transcription and replication, and it is an important therapeutic target for anti-tumor agents. Bidens pilosa L. is a medicinal herb that is used as a folk medicine for cancers in China. A new flavonoid (1) and a new polyacetylene (20), along with eighteen flavonoids (2–19) and nine polyacetylenes (21–29), were isolated and identified from the methanol extract of the whole plant of B. pilosa, and some of the compounds (4, 5, 6 and 7) exhibited potent cytotoxicity against a panel of five human cancer cell lines. The DNA relaxation assay revealed that some flavonoids and polyacetylenes exerted inhibitory activities on human DNA Topo I, among them compounds 1, 2, 5, 6, 7, 8, 15, 19, 20, 22, and 24 were the most active ones, with IC50 values of 393.5, 328.98, 145.57, 239.27, 224.38, 189.84, 89.91, 47.5, 301.32, 178.03, and 218.27 μM, respectively. The structure–activity analysis of flavonoids was performed according to the results from the Topo I inhibition assay. The DNA content analysis revealed that 5, 6, and 7 potently arrested cell cycle at the G1/S and G2/M phases in human colon cancer cell DLD-1 depending on the concentration of the inhibitors. The levels of protein expression related to the G1/S and G2/M cell cycle checkpoints were in accordance with the results from the DNA content analysis. These findings suggest that flavonoids are one of the key active ingredients accounting for the anti-tumor effect of B. pilosa.
Chemical Composition and Nutritive Value of Sea Buckthorn Leaves
Authors: Bośko Paulina , Biel Wioletta , Witkowicz Robert , Piątkowska Ewa
Published: July 2024

Sea buckthorn leaves (SBT_LVs) form notable by-product during harvesting and post-harvest management of the berries. It is already known that sea buckthorn berries are important for their chemical composition and based on this, they occupy a wide field in nutrition. SBT_LVs also have a rich chemical composition, like the berries. The aim of this study was to describe these by-products in the context of protein and complex carbohydrates–dietary fiber fractions, including qualitative and quantitative composition of amino acids. Proximate composition, amino acids, nutritional values of the protein, and dietary fiber fractions of SBT_LVs of four cultivars (cvs.) Ascola, Habego, Hergo, and Leikora were assessed. SBT_LVs from different years of the study had statistically different levels of crude protein, ether extract, crude ash, and nitrogen-free extract (NFE), confirming that the quality of the raw material (leaves) can be significantly modified by habitat conditions. The largest fraction of dietary fiber was neutral detergent fiber (NDF), including the sum of hemicellulose, cellulose, and lignin, followed by the acid detergent fiber fraction (ADF), consisting of lignin and cellulose. The content of essential amino acids in SBT_LV protein was high. Overall, this study confirms that SBT_LVs hold promise as a valuable resource for use as a food ingredient, functional food, and dietary supplement for both humans and animals.
Chemical Composition and Antibacterial, Antioxidant, and Cytotoxic Activities of Essential Oils from Leaves and Stems of Aeschynomene indica L.
Authors: Feng Linjie , Xu Fan , Qiu Shu , Sun Chengqi , Lai Pengxiang
Published: July 2024

The objective of this study was to analyze the chemical composition and evaluate the biological capabilities of the essential oils (EOs) extracted from leaves and stems of wild Aeschynomene indica L. plants by the hydrodistillation method. By using GC-FID/MS, fifty-six and fifty-five compounds, representing 95.1 and 97.6% of the essential oils in the leaves and stems, respectively, were characterized. The predominant constituents of A. indica EOs were (E)-caryophyllene, linalool, viridiflorol, phytol, hexadecanoic acid, trans-verbenol, and α-guaiene. The antibacterial and synergistic activities of the EOs were assessed by microdilution and checkerboard assays. The results revealed a potent inhibition and bactericidal activity against Staphylococcus aureus and Bacillus subtilis with MICs of 0.312–0.625 mg/mL. When combined with traditional antibiotics, the essential oils of A. indica possessed excellent synergistic effects against all tested bacteria. Additionally, the EOs of A. indica leaves showed higher antioxidant activity (IC50 = 0.11 ± 0.01 µg/mL) compared to the stem oil (IC50 = 0.19 ± 0.01 µg/mL) using the ABTS radical scavenging assay. The in vitro cytotoxicity of EOs against human cancer cell lines HepG2, MCF-7, A-549, and HCT-116 was examined, and MTT assays showed that the EOs possessed a significant cytotoxic potential against MCF-7 breast cancer cells, with IC50 values of 10.04 ± 1.82 and 15.89 ± 1.66 μg/mL, and a moderate cytotoxic activity against other tested cells. In conclusion, the A. indica EOs could be considered a potential source of pharmacologically active compounds.
Janus MoSH/WSi2N4 van der Waals Heterostructure: Two-Dimensional Metal/Semiconductor Contact
Authors: Wang Yongdan , Zhu Xiangjiu , Zhang Hengshuo , He Shitong , Liu Ying , Zhao Wenshi , Liu Huilian , Qu Xin
Published: July 2024

Constructing heterostructures from already synthesized two-dimensional materials is of significant importance. We performed a first-principles study to investigate the electronic properties and interfacial characteristics of Janus MoSH/WSi2N4 van der Waals heterostructure (vdWH) contacts. We demonstrate that the p-type Schottky formed by MoSH/WSi2N4 and MoHS/WSi2N4 has extremely low Schottky barrier heights (SBHs). Due to its excellent charge injection efficiency, Janus MoSH may be regarded as an effective metal contact for WSi2N4 semiconductors. Furthermore, the interfacial characteristics and electronic structure of Janus MoSH/WSi2N4 vdWHs can not only reduce/eliminate SBH, but also forms the transition from p-ShC to n-ShC type and from Schottky contact (ShC) to Ohmic contact (OhC) through the layer spacing and electric field. Our results can offer a fresh method for optoelectronic applications based on metal/semiconductor Janus MoSH/WSi2N4 vdW heterostructures, which have strong potential in optoelectronic applications.
Glucanases and Chitinases in Mangifera indica: Identification, Classification, Phylogeny, and Expression Analysis of Defense Genes against Colletotrichum spp.
Authors: Jiménez-Maldonado María Isabel , Islas-Osuna María Auxiliadora , León-Félix Josefina , Tovar-Pedraza Juan Manuel , Muy-Rangel María Dolores
Published: July 2024

Plant glucanases and chitinases are defense proteins that participate in pathogenesis; however, very little is known about the glucanase (GLUC) and chitinase (CHIT) gene families in mango. Some mango cultivars are of great economic importance and can be affected by anthracnose, a postharvest disease caused by fungi of the genus Colletotrichum spp. This study identified and characterized 23 putative glucanases and 16 chitinases in the mango genome cv. Tommy Atkins. We used phylogenetic analyses to classify the glucanases into three subclasses (A, B, and C) and the chitinases into four classes (I, II, IV, and V). Information on the salicylic, jasmonic acid, and ethylene pathways was obtained by analyzing the cis-elements of the GLUC and CHIT class I and IV gene promoters. The expression profile of GLUC, CHIT class I, and CHIT class IV genes in mango cv. Ataulfo inoculated with two Colletotrichum spp. revealed different profile expression related to these fungi’s level of virulence. In general, this study provides the basis for the functional validation of these target genes with which the regulatory mechanisms used by glucanases and chitinases as defense proteins in mango can be elucidated.
Oxysulfonylation of Alkynes with Sodium Sulfinates to Access β-Keto Sulfones Catalyzed by BF3·OEt2
Authors: Yu Shi-Wei , Chen Zu-Jia , Li Huan-Qing , Li Wen-Xi , Li Yun , Li Zong , Wang Zhao-Yang
Published: July 2024

An efficient and operationally simple method for the synthesis of β-keto sulfones through the BF3·OEt2-promoted reaction of alkynes and sodium sulfinates is developed. With its facile and selective access to the targets, it features good functional group compatibility, mild conditions, easily available starting materials, and good yields. Notably, the reaction does not require metal catalysts or chemical reagents with pungent odors.
Iodophor-/H2O2-Mediated 2-Sulfonylation of Indoles and N-Methylpyrrole in Aqueous Phase
Authors: Liu Yashuai , Yuan Yutong , He Jing , Han Sheng , Liu Yan
Published: July 2024

A convenient and efficient strategy for the preparation of 2-sulfonylindoles has been achieved through iodophor-/H2O2-mediated 2-sulfonylation of indoles with readily available sulfonyl hydrazides in the aqueous phase. Iodophor is commercially available and serves as the green catalyst and aqueous phase. A series of 2-sulfonylated products from indoles and N-methylpyrrole were synthesized in moderate yields in only 10 min. Control experiments were also conducted to reveal the mechanism of action. This method is environment friendly, easy to operate and suitable for a wide range of substrates.
Synthesis and Biological Activities of C1-Substituted Acylhydrazone β-Carboline Analogues as Antifungal Candidates
Authors: Xu Yujie , Li Lishan , Zhang Jinghan , Lan Yu , Li Na , Wang Junru
Published: July 2024

In our ongoing work to create potential antifungal agents, we synthesized and tested a group of C1-substituted acylhydrazone β-carboline analogues 9a–o and 10a–o for their effectiveness against Valsa mali, Fusarium solani, Fusarium oxysporum, and Fusarium graminearum. Their compositions were analyzed using different spectral techniques, such as 1H/13C NMR and HRMS, with the structure of 9l being additionally confirmed through X-ray diffraction. The antifungal evaluation showed that, among all the target β-carboline analogues, compounds 9n and 9o exhibited more promising and broad-spectrum antifungal activity than the commercial pesticide hymexazol. Several intriguing findings regarding structure–activity relationships (SARs) were examined. In addition, the cytotoxicity test showed that these acylhydrazone β-carboline analogues with C1 substitutions exhibit a preference for fungi, with minimal harm to healthy cells (LO2). The reported findings provide insights into the development of β-carboline analogues as new potential antifungal agents.
Physicochemical Characteristics of Porous Starch Obtained by Combined Physical and Enzymatic Methods—Part 2: Potential Application as a Carrier of Gallic Acid
Authors: Wiącek Agnieszka Ewa , Sujka Monika
Published: July 2024

Wettability measurements were performed for aqueous dispersions of native and modified corn, potato, and pea starch granules deposited on glass plates by the thin layer method using test liquids of a different chemical nature (polar water and formamide or non-polar diiodomethane). High values of the determination coefficient R2 confirm that the linear regression model describes the relationship between the wetting time and the square of the penetration distance very well, indicating the linear nature of the Washburn relationship. A change in free energy (enthalpy) during the movement of the liquid in the porous layer was determined for all starches before and after modification in contact with test liquids. Wetting times for polar liquids increased significantly (from 3 to 4 fold), especially for corn starch. The lower the value of the adhesive tension, the easier the wetting process takes place, and consequently, the adsorption process is facilitated. Adhesive tension for polar substances applies to the adsorption of hydrophilic substances, while in the case of apolar substances, adhesive tension applies to the adsorption of hydrophobic substances. For the adsorption of gallic acid on starch, the relationships obtained for polar substances are crucial. The adsorption of gallic acid by forming hydrogen bonds or, more generally, donor–acceptor (acid–base) bonds is definitely higher for corn starch than other starches. Therefore, this starch has the most significant potential for use as a carrier of gallic acid or, more broadly, compounds from the polyphenol group.
Improving the Solubility, Stability, and Bioavailability of Albendazole through Synthetic Salts
Authors: Yan Haiying , Zhong Xueping , Liu Yao
Published: July 2024

Albendazole (ABZ) is a highly effective yet poorly water-soluble antiparasitic drug known to form salts (ABZ-FMA, ABZ-DTA, and ABZ-HCl) with fumaric acid (FMA), D-tartaric acid (DTA), and hydrochloric acid (HCl). This research utilized a range of analytical techniques, including Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance hydrogen spectroscopy (1H NMR), powder X-ray diffraction (PXRD), dynamic vapor sorption (DVS), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and scanning electron microscopy (SEM), to validate and characterize the solid-state properties of these drug salts. This study also assessed the solubility and intrinsic dissolution rate (IDR) of these salts under different pH conditions compared to the active pharmaceutical ingredient (API) and conducted stability studies. Moreover, the in vivo pharmacokinetic performance of ABZ salt was evaluated. The results of this study reveal that the new solid form of ABZ is primarily associated with amino acid esters and benzimidazole groups, forming intermolecular interactions. All three ABZ salts significantly improved the solubility and dissolution rate of ABZ, with ABZ-HCl demonstrating the optimal performance. Importantly, the drug salt exhibited robust physical stability when exposed to adverse conditions, including strong light irradiation (4500 ± 500 lux), high humidity (92.5 ± 5% relative humidity), elevated temperatures (50 ± 2 °C), and accelerated test conditions (40 °C/75 ± 5% relative humidity). Lastly, the in vivo pharmacokinetic analysis demonstrated that ABZ salt led to a substantial increase in AUC(0–24) and Cmax compared to ABZ. This elevation in solubility in aqueous solvents signifies that ABZ salt exhibits characteristics that can enhance oral bioavailability and pharmacokinetics. These findings provide potential solutions for the development of more effective and innovative drug formulations.
Axisymmetric Slow Rotation of Coaxial Soft/Porous Spheres
Authors: Chou Yu F. , Keh Huan J.
Published: July 2024

The steady low-Reynolds-number rotation of a chain of coaxial soft spheres (each with an impermeable hard core covered by a permeable porous layer) about the axis in a viscous fluid is analyzed. The particles may be unequally spaced, and may differ in the permeability and inner and outer radii of the porous surface layer as well as angular velocity. By using a method of boundary collocation, the Stokes and Brinkman equations for the external fluid flow and flow within the surface layers, respectively, are solved semi-analytically. The particle interaction effect increases as the relative gap thickness between adjacent particles or their permeability decreases, which can be significant as the gap thickness approaches zero. A particle’s hydrodynamic torque is reduced (its rotation is enhanced) when other particles rotate in the same direction at equivalent or greater angular velocities, but increases (its rotation is hindered) when other particles rotate in the opposite direction at arbitrary angular velocities. For particles with different radii or permeabilities, the particle interaction has a greater effect on smaller or more permeable particles than on larger or less permeable particles. For the rotation of three particles, the presence of the third particle can significantly affect the hydrodynamic torques acting on the other two particles. For the rotation of numerous particles, shielding effects between particles can be substantial. When the permeability of porous layers is low, relative fluid motion is barely felt by the hard cores of the soft particles. The insights gained from this analysis on the effects of interactions among rotating soft particles may be of great importance in many physicochemical applications of colloidal suspensions.
Development of Delivery Systems with Prebiotic and Neuroprotective Potential of Industrial-Grade Cannabis sativa L.
Authors: Sip Szymon , Stasiłowicz-Krzemień Anna , Sip Anna , Szulc Piotr , Neumann Małgorzata , Kryszak Aleksandra , Cielecka-Piontek Judyta
Published: July 2024

This study delves into the transformative effects of supercritical carbon dioxide (scCO2) cannabis extracts and prebiotic substances (dextran, inulin, trehalose) on gut bacteria, coupled with a focus on neuroprotection. Extracts derived from the Białobrzeska variety of Cannabis sativa, utilising supercritical fluid extraction (SFE), resulted in notable cannabinoid concentrations (cannabidiol (CBD): 6.675 ± 0.166; tetrahydrocannabinol (THC): 0.180 ± 0.006; cannabigerol (CBG): 0.434 ± 0.014; cannabichromene (CBC): 0.490 ± 0.017; cannabinol (CBN): 1.696 ± 0.047 mg/gD). The assessment encompassed antioxidant activity via four in vitro assays and neuroprotective effects against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The extract boasting the highest cannabinoid content exhibited remarkable antioxidant potential and significant inhibitory activity against both enzymes. Further investigation into prebiotic deliveries revealed their proficiency in fostering the growth of beneficial gut bacteria while maintaining antioxidant and neuroprotective functionalities. This study sheds light on the active compounds present in the Białobrzeska variety, showcasing their therapeutic potential within prebiotic systems. Notably, the antioxidant, neuroprotective, and prebiotic properties observed underscore the promising therapeutic applications of these extracts. The results offer valuable insights for potential interventions in antioxidant, neuroprotective, and prebiotic domains. In addition, subsequent analyses of cannabinoid concentrations post-cultivation revealed nuanced changes, emphasising the need for further exploration into the dynamic interactions between cannabinoids and the gut microbiota.
Modulation of Properties in [1]Benzothieno[3,2-b][1]benzothiophene Derivatives through Sulfur Oxidation
Authors: Rzewnicka Aneta , Dolot Rafał , Mikina Maciej , Krysiak Jerzy , Żurawiński Remigiusz
Published: July 2024

This study explores the impact of sulfur oxidation on the structural, optical, and electronic properties of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) derivatives, specifically focusing on 2,7-dibromo BTBT (2,7-diBr-BTBT) and its oxidized forms, 5,5-dioxide (2,7-diBr-BTBTDO) and 5,5,10,10–tetraoxide (2,7-diBr-BTBTTO). The bromination of BTBT followed by sequential oxidation with m-chloroperoxybenzoic acid yielded the target compounds in good yields. They were characterized using a wide array of analytical techniques including different spectroscopic methods, X-ray analysis, thermal analysis, and quantum chemical calculations. The results revealed that sulfur oxidation significantly alters the crystal packing, thermal stability, and optoelectronic properties of BTBT derivatives. Notably, the oxidized forms exhibited increased thermal stability and enhanced emission properties, with quantum yields exceeding 99%. These findings provide valuable insights for designing advanced organic semiconductors and fluorescent materials with tunable properties, based on the BTBT core.
A Protocol to Extract a Specific Genomic Region from a Public Whole-Genome Database and Modify Analytical Bin Length for Population Genetic Studies
Authors: Akhtar Muhammad Shoaib , Kawamura Shoji
Published: July 2024

With the advent of “next-generation” sequencing and the continuous reduction in sequencing costs, an increasing amount of genomic data has emerged, such as whole-genome, whole-exome, and targeted sequencing data. These applications are popular not only in mega sequencing projects, such as the 1000 Genomes Project and UK BioBank, but also among individual researchers. Evolutionary genetic analyses, such as the dN/dS ratio and Tajima’s D, are demanded more and more for whole-genome-level population data. These analyses are often carried out under a uniform custom bin size across the genome. However, these analyses require subdivision of a genomic region into functional units, such as protein-coding regions, introns, and untranslated regions, and computing these genetic measures for large-scale data remains challenging. In a recent investigation, we successfully devised a method to address this issue. This method requires a multi-sample VCF file containing population data, a reference genome, target regions in the BED file, and a list of samples to be included in the analysis. Given that the targeted regions are extracted in a new VCF file, targeted population genetic analysis can be performed. We conducted Tajima’s D analysis using this approach on intact and pseudogenes, as well as non-coding regions.
ZnO Nanoparticles Enhance the Antimicrobial Properties of Two-Sided-Coated Cotton Textile
Authors: Giedraitienė Agnė , Ružauskas Modestas , Šiugždinienė Rita , Tučkutė Simona , Grigonis Kastytis , Milčius Darius
Published: July 2024

Cotton textiles improved with metal oxide nanoparticles acquire additional features that may enhance their action against antimicrobial-resistant pathogens due to the unique properties and characteristics of the nanoparticles. The main objective of this work is to evaluate the antimicrobial features of two-sided-coated cotton textiles with ZnO nanoparticles. Nanoparticles were deposited using green chemistry technology with low-temperature oxygen plasma. ZnO particles formed stable structures on textile fibers. The optimal deposition parameters (150 W plasma power, 120 min immersion time) achieved the best effects against Gram-negative and Gram-positive bacteria and microscopic fungi. Two-sided-coated cotton with ZnO nanoparticles showed high antibacterial action on Gram-negative and Gram-positive bacteria. Modification with zinc oxide inhibited the growth of Candida albicans by more than half.
Insights into One-Dimensional Thermoelectric Materials: A Concise Review of Nanowires and Nanotubes
Authors: Latronico Giovanna , Asnaashari Eivari Hossein , Mele Paolo , Assadi Mohammad Hussein Naseef
Published: July 2024

This brief review covers the thermoelectric properties of one-dimensional materials, such as nanowires and nanotubes. The highly localised peaks of the electronic density of states near the Fermi levels of these nanostructured materials improve the Seebeck coefficient. Moreover, quantum confinement leads to discrete energy levels and a modified density of states, potentially enhancing electrical conductivity. These electronic effects, coupled with the dominance of Umklapp phonon scattering, which reduces thermal conductivity in one-dimensional materials, can achieve unprecedented thermoelectric efficiency not seen in two-dimensional or bulk materials. Notable advancements include carbon and silicon nanotubes and Bi3Te2, Bi, ZnO, SiC, and Si1−xGex nanowires with significantly reduced thermal conductivity and increased ZT. In all these nanowires and nanotubes, efficiency is explored as a function of the diameter. Among these nanomaterials, carbon nanotubes offer mechanical flexibility and improved thermoelectric performance. Although carbon nanotubes theoretically have high thermal conductivity, the improvement of their Seebeck coefficient due to their low-dimensional structure can compensate for it. Regarding flexibility, economic criteria, ease of fabrication, and weight, carbon nanotubes could be a promising candidate for thermoelectric power generation.
Ultrathin Boron Growth onto Nanodiamond Surfaces via Electrophilic Boron Precursors
Authors: Govindaraju Krishna , Supreme Tyanna , Labunsky Daniel N. , Martin Nicole , Del Rosario Juan Miguel , Washington Alana , Uwadiale Ezhioghode O. , Adjei Solomon , Ladjadj Sandra , Melendrez Cynthia V. , Lee Sang-Jun , Altoe Maria V. , Green Avery , Riano Sebastian , Sainio Sami , Nordlund Dennis , Wolcott Abraham
Published: July 2024

Diamond as a templating substrate is largely unexplored, and the unique properties of diamond, including its large bandgap, thermal conductance, and lack of cytotoxicity, makes it versatile in emergent technologies in medicine and quantum sensing. Surface termination of an inert diamond substrate and its chemical reactivity are key in generating new bonds for nucleation and growth of an overlayer material. Oxidized high-pressure high temperature (HPHT) nanodiamonds (NDs) are largely terminated by alcohols that act as nucleophiles to initiate covalent bond formation when an electrophilic reactant is available. In this work, we demonstrate a templated synthesis of ultrathin boron on ND surfaces using trigonal boron compounds. Boron trichloride (BCl3), boron tribromide (BBr3), and borane (BH3) were found to react with ND substrates at room temperature in inert conditions. BBr3 and BCl3 were highly reactive with the diamond surface, and sheet-like structures were produced and verified with electron microscopy. Surface-sensitive spectroscopies were used to probe the molecular and atomic structure of the ND constructs’ surface, and quantification showed the boron shell was less than 1 nm thick after 1–24 h reactions. Observation of the reaction supports a self-terminating mechanism, similar to atomic layer deposition growth, and is likely due to the quenching of alcohols on the diamond surface. X-ray absorption spectroscopy revealed that boron-termination generated midgap electronic states that were originally predicted by density functional theory (DFT) several years ago. DFT also predicted a negative electron surface, which has yet to be confirmed experimentally here. The boron-diamond nanostructures were found to aggregate in dichloromethane and were dispersed in various solvents and characterized with dynamic light scattering for future cell imaging or cancer therapy applications using boron neutron capture therapy (BNCT). The unique templating mechanism based on nucleophilic alcohols and electrophilic trigonal precursors allows for covalent bond formation and will be of interest to researchers using diamond for quantum sensing, additive manufacturing, BNCT, and potentially as an electron emitter.
Exploring the Challenges of Characterising Surface Topography of Polymer–Nanoparticle Composites
Authors: Wood Jonathan , Palms Dennis , Dabare Ruvini , Vasilev Krasimir , Bright Richard
Published: July 2024

Nanomechanical testing plays a crucial role in evaluating surfaces containing nanoparticles. Testing verifies surface performance concerning their intended function and detects any potential shortcomings in operational standards. Recognising that nanostructured surfaces are not always straightforward or uniform is essential. The chemical composition and morphology of these surfaces determine the end-point functionality. This can entail a layered surface using materials in contrast to each other that may require further modification after nanomechanical testing to pass performance and quality standards. Nanomechanical analysis of a structured surface consisting of a poly-methyl oxazoline film base functionalised with colloidal gold nanoparticles was demonstrated using an atomic force microscope (AFM). AFM nanomechanical testing investigated the overall substrate architecture’s topographical, friction, adhesion, and wear parameters. Limitations towards its potential operation as a biomaterial were also addressed. This was demonstrated by using the AFM cantilever to apply various forces and break the bonds between the polymer film and gold nanoparticles. The AFM instrument offers an insight to the behaviour of low-modulus surface against a higher-modulus nanoparticle. This paper details the bonding and reaction limitations between these materials on the application of an externally applied force. The application of this interaction is highly scrutinised to highlight the potential limitations of a functionalised surface. These findings highlight the importance of conducting comprehensive nanomechanical testing to address concerns related to fabricating intricate biomaterial surfaces featuring nanostructures.
Impact of the Physical Activity Environment on Change in Body Mass Index Percentile in Child Care Centers Serving Children with Disabilities
Authors: Bloyer Martha H. , Ma Ruixuan , Agosto Yaray , Velasquez Carolina , Espina Katheryn , Palenzuela Joanne , Schladant Michelle , Hernandez Julieta , Messiah Sarah E. , Natale Ruby
Published: July 2024

Childcare centers (CCCs) can provide opportunities to implement physical activity (PA) via health promotion interventions to prevent obesity and associated chronic disease risk factors in young children. This study evaluated the impact of the Healthy Caregivers-Healthy Children (HC2) intervention on body mass index percentile (PBMI) and the PA environment in CCCs serving children with disabilities (CWD) over one school year. Ten CCCs were cluster-randomized to either (1) an intervention arm that received the HC2 curriculum adapted for CWD or (2) an attention control arm. Mixed-effect linear regression models analyzed the relationship between change in child PBMI and CCC childcare center PA environment by experimental condition and child disability status over one school year. Findings showed a significant decrease in PBMI among children in the HC2 centers (−6.74, p = 0.007) versus those in control centers (−1.35, p = 0.74) over one school year. Increased PA staff behaviors (mean change 3.66, p < 0.001) and PA policies (mean change 6.12, p < 0.001) were shown in intervention centers during the same period. Conversely, there was a significant increase in sedentary opportunities (mean change 4.45, p < 0.001) and a decrease in the portable play environment (mean change −3.16, p = 0.03) and fixed play environment (mean change −2.59, p = 0.04) in control centers. No significant differences were found in PBMI changes between CWD and children without disabilities (beta = 1.62, 95% CI [−7.52, 10.76], p = 0.73), suggesting the intervention’s efficacy does not differ by disability status. These results underscore the importance of (1) including young CWD and (2) PA and the supporting environment in CCC health promotion and obesity prevention interventions.
Association between Dietary Acid Load and Chronic Kidney Disease in the Chinese Population: A Comprehensive Analysis of the China Health and Nutrition Survey (2009)
Authors: Wang Shurui , Fan Xiaohong , Zheng Xixi , Xia Peng , Zou Haiou , Zhang Zhaofeng , Chen Limeng
Published: July 2024

Background: Dietary acid load (DAL) is closely related to several chronic diseases. However, the link between DAL and chronic kidney disease (CKD) remains scarce and without data from the Chinese populations whose diet is quite different from people in Western countries. Methods: This study evaluated DAL by potential renal acid load (PRAL) and net endogenous acid production (NEAP). We clarified the relationship between DAL and CKD by logistic regression analysis based on data from the China Health and Nutrition Survey (CHNS). Results: The final analysis included 7699 individuals, of whom 811 (11.44%) were CKD patients. Although there was no notable link between PRAL and CKD, higher NEAP levels were independently correlated with CKD. As NEAP values rise, so does CKD prevalence. This trend remains highly significant even after adjustments. In subgroup analyses, the relationship between NEAP and CKD was more consistent in the elderly and subjects with a waistline of less than 82 cm and those without diabetes and heart disease. RCS analysis further confirmed the clear linear relationship between the OR of CKD and NEAP score. Conclusions: This study highlighted that higher NEAP was positively correlated with the risk of CKD.
Prevalence, Infection Intensity, and Risk Factors for Soil-transmitted Helminth Infections among School Children in Northwestern Tanzania
Authors: Justine Nyanda C. , Bhuko Jeffer , Rubagumya Sarah L. , Basinda Namanya S. , Ruganuza Deodatus M. , Zinga Maria M. , Briet Matthieu , Misko Vyacheslav R. , Legein Filip , Mohamed Hussein , Mushi Vivian , Tarimo Donath S. , Mazigo Humphrey D. , De Malsche Wim
Published: July 2024

Soil-transmitted helminthiases (STH) are among the neglected tropical diseases and infect more than 24% of the world population. The World Health Organization recommends regular monitoring of STH’s prevalence and intensity following mass drug administrations to evaluate their effectiveness and inform future control strategies. This study evaluated the prevalence, intensity, and risk factors of STH infections among school children aged 6 to 14 years old in northwestern Tanzania. A cross-sectional study was conducted among 728 school children in the Kagera region in 2021. Participants were selected using a two-stage cluster sampling method. A questionnaire was used to collect data on the risk factors. Stool samples were examined using the Kato–Katz technique. The data were analysed using STATA. The overall prevalence of STH was 56.2% (95% CI: 52.5–59.8, 409/728). About 5.7% and 1.1% of the infected children had moderate-intensity infections with Ascaris lumbricoides and Trichuris trichiura, respectively. Risk factors included the mother’s occupation as a farmer (aOR: 1.2, p = 0.002) and not washing hands with water and soap (aOR: 1.4, p = 0.035). Washing one’s hands after using the toilet (aOR: 0.6; p = 0.024) is a preventive measure against STH infections. STH was prevalent in the study area. The mother’s occupation (farmer) and the lack of handwashing with water and soap influenced STH transmission. Conversely, washing hands after visiting the toilet and after playing with soil reduced the risk of STH infection.
A Pilot Analysis for a Multicentric, Retrospective Study on Biodiversity and Difficult-to-Treat Pathogens in Burn Centers across the United States (MICROBE)
Authors: Lane Lindey C. , Hill David M.
Published: July 2024

Following burn injury, patients are at increased risk of infection and are often cited as having a high incidence of difficult-to-treat pathogens (DTp). The purpose of this study is to determine the incidence of DTp after burn injury, which factors are associated with their development, and subsequent outcomes. This single-center, retrospective study assessed patients with thermal or inhalation injury who had a positive culture resulting in initiation of treatment (i.e., excision, topical, or systemic antimicrobials). Demographic data, pathogen and resistance profiles, and prior exposure to topical and systemic antimicrobials were collected. Pathogens were considered DTp if they were multi-drug-resistant (MDR), extensively drug-resistant (XDR), methicillin-resistant Staphylococcus aureus (MRSA), extended-spectrum beta-lactamase (ESBL)-producing, AmpC-producing, carbapenem-resistant, difficult-to-treat resistance (DTR) Pseudomonas sp., carbapenem-resistant Acinetobacter baumannii (CRAB), or Stenotrophomonas spp. Sixty-five patients who grew 376 pathogens were included in the final analysis. Two-hundred thirteen (56.7%) pathogens were considered DTp. Prior exposure to 7 of the 11 collected topical antimicrobials and 9 of 11 systemic antimicrobial classes were significantly associated with future development of a DTp. This remained true for six and eight, respectively, after controlling for significant covariates via logistic regression. As there were only four deaths, a Cox-proportional hazard analysis was not feasible. The Kaplan–Meier plot according to DTp revealed a clear divergence in mortality (Log rank p = 0.0583). In this analysis, exposure to topical and systemic antibiotics was associated with the development of DTp. The results from this pilot study will inform the next iteration of multicenter study.
Effects of Green Tea Extract Epigallocatechin-3-Gallate on Oral Diseases: A Narrative Review
Authors: Li Yizhen , Cheng Lei , Li Mingyun
Published: July 2024

Objectives: Oral diseases are among the most prevalent diseases globally. Accumulating new evidence suggests considerable benefits of epigallocatechin-3-gallate (EGCG) for oral health. This review aims to explore the role and application of EGCG in main oral diseases. Methods: This narrative review thoroughly examines and summarizes the most recent literature available in scientific databases (PubMed, Web of Science, Scopus, and Google Scholar) reporting advances in the role and application of EGCG within the dental field. The major keywords used included “EGCG”, “green tea extract”, “oral health”, “caries”, “pulpitis”, “periapical disease”, “periodontal disease”, “oral mucosa”, “salivary gland”, and “oral cancer”. Conclusions: EGCG prevents and manages various oral diseases through its antibacterial, anti-inflammatory, antioxidant, and antitumor properties. Compared to traditional treatments, EGCG generally exhibits lower tissue irritation and positive synergistic effects when combined with other therapies. Novel delivery systems or chemical modifications can significantly enhance EGCG’s bioavailability, prolong its action, and reduce toxicity, which are current hotspots in developing new materials. Clinical significance: this review provides an exhaustive overview of the biological activities of EGCG to major oral diseases, alongside an exploration of applications and limitations, which serves as a reference for preventing and managing oral ailments.
Distribution of and Relationships between Epidemiological and Clinicopathological Parameters in Canine Leishmaniosis: A Retrospective Study of 15 Years (2009–2023)
Authors: Lopes Ricardo , Garcês Andreia , Silva Augusto , Brilhante-Simões Paula , Martins Ângela , Duarte Elsa Leclerc , Coelho Ana Cláudia , Cardoso Luís
Published: July 2024

Leishmaniosis is a vector-borne disease caused by protozoan parasites of the genus Leishmania, which are zoonotic and have an important impact on animal and public health globally. Between 2009 and 2023, blood samples from domestic dogs with clinical suspicion of leishmaniosis were received from 286 veterinary medical centres throughout mainland Portugal. An enzyme-linked immunosorbent assay (ELISA) was utilised to detect antibodies against Leishmania infantum antigens. Additionally, a complete blood count and tests for total proteins, urea, creatinine and alanine aminotransferase, as well as protein electrophoresis, were also performed. No significant relationship between sex and breed was observed. The age distribution was bimodal, with the highest prevalence of disease occurring at 2–5 years of age and a secondary peak occurring at 6 years or over (p < 0.001). No statistical correlation was observed between creatinine and urea across the ELISA serological groups. In contrast, both the gamma globulin levels (r = 0.45; p < 0.001) and the albumin/globulin ratio (r = −0.36; p < 0.001) exhibited moderate correlations with the ELISA. These findings support recent seroprevalence studies in dogs, with some geographical areas in Northern Portugal exhibiting the highest values, which may be the result of geographical shifts in parasite circulation due to climate change.