bluuebunny/crossref_metadata_2025 huggingface dataset:
Laser-Based Manufacturing of Ceramics: A Review
Authors: Gopal Pudhupalayam Muthukutti , Kavimani Vijayananth , Gupta Kapil , Marinkovic Dragan
Published: August 2023

Ceramics are widely used in microelectronics, semiconductor manufacturing, medical devices, aerospace, and aviation, cutting tools, precision optics, MEMS and NEMS devices, insulating components, and ceramic molds. But the fabrication and machining of the ceramic-based materials by conventional processes are always difficult due to their higher hardness and mechanical properties. Therefore, advanced manufacturing techniques are being preferred for these advanced materials, and out of that, laser-based processes are widely used. The benefits of laser fabrication and machining of ceramics include high precision, reduced thermal damage, non-contact processing, and the ability to work with complex geometries. Laser technology continues to advance, enabling even more intricate and diverse applications for ceramics in a wide range of industries. This paper explains various laser based ceramic processing techniques, such as selective laser sintering and melting, and laser machining techniques, such as laser drilling, etc. Identifying and optimizing the process parameters that influence the output quality of laser processed parts is the key technique to improving the quality, which is also focused on in this paper. It aims to facilitate the researchers by providing knowledge on laser-based manufacturing of ceramics and their composites to establish the field further.
Structural Design of MEMS Acceleration Sensor Based on PZT Plate Capacitance Detection
Authors: Cui Min , Chuai Senhui , Huang Yong , Liu Yang , Li Jian
Published: August 2023

The problem that the fuze overload signal sticks and is not easily identified by the counting layer during the high-speed intrusion of the projectile is an important factor affecting the explosion of the projectile in the specified layer. A three-pole plate dual-capacitance acceleration sensor based on the capacitive sensor principle is constructed in this paper. The modal simulation of the sensor structure is carried out using COMSOL 6.1 simulation software, the structural parameters of the sensor are derived from the mechanical properties of the model, and finally the physical sensor is processed and fabricated using the derived structural parameters. The mechanical impact characteristics of the model under different overloads were investigated using ANSYS/LS-DYNA, and the numerical simulation of the projectile intrusion into the three-layer concrete slab was carried out using LS-DYNA. Under different overload conditions, the sensor was tested using the Machette’s hammer test and the output signal of the sensor was obtained. The output signal was analyzed. Finally, a sensor with self-powered output, high output voltage amplitude, and low spurious interference was obtained. The results show that the ceramic capacitive sensor has a reasonable structure, can reliably receive vibration signals, and has certain engineering applications in the intrusion meter layer.
The Isolation of Anaerobic and Facultative Anaerobic Sulfate-Reducing Bacteria (SRB) and a Comparison of Related Enzymes in Their Sulfate Reduction Pathways
Authors: Wang Jing , Li Xiaohong , Guan Fang , Yang Zhibo , Zhai Xiaofan , Zhang Yimeng , Tang Xuexi , Duan Jizhou , Xiao Hui
Published: August 2023

Sulfate-reducing bacteria (SRB) are an important group of microorganisms that cause microbial corrosion. In this study, culturable SRB were isolated and identified from the inner rust layer of three kinds of steel and from sediments, and a comparison of amino acid sequences encoding related enzymes in the sulfate reduction pathway between anaerobic and facultative anaerobic SRB strains was carried out. The main results are as follows. (1) Seventy-seven strains were isolated, belonging to five genera and seven species, with the majority being Desulfovibrio marinisediminis. For the first time, Holodesulfovibrio spirochaetisodalis and Acinetobacter bereziniae were separated from the inner rust layer of metal, and sulfate reduction by A. bereziniae, Virgibacillus dokdonensis, and Virgibacillus chiguensis, etc., was also demonstrated for the first time. (2) Three strains of strictly anaerobic bacteria and four strains of facultative anaerobic bacteria were screened from seven bacterial strains. (3) Most of the anaerobic SRB only contained enzymes for the dissimilatory sulfate reduction pathway, while those of facultative anaerobic bacteria capable of producing hydrogen sulfide included two possible ways: containing the related enzymes from the dissimilatory pathway only, or containing enzymes from both dissimilatory and assimilation pathways. This study newly discovered that some bacterial genera exhibit sulfate reduction ability and found that there are differences in the distribution of enzymes related to the sulfate reduction pathway between anaerobic and facultative anaerobic SRB type trains, providing a basis for the development and utilization of sulfate-reducing bacterial resources and furthering our understanding of the metabolic mechanisms of SRB.
Multidrug-Resistant and Extensively Drug-Resistant Acinetobacter baumannii Causing Nosocomial Meningitis in the Neurological Intensive Care Unit
Authors: Fursova Nadezhda K. , Fursov Mikhail V. , Astashkin Evgeny I. , Fursova Anastasiia D. , Novikova Tatiana S. , Kislichkina Angelina A. , Sizova Angelika A. , Fedyukina Galina N. , Savin Ivan A. , Ershova Olga N.
Published: August 2023

Acinetobacter baumannii is one of the significant healthcare-associated meningitis agents characterized by multidrug resistance and a high mortality risk. Thirty-seven A. baumannii strains were isolated from thirty-seven patients of Moscow neuro-ICU with meningitis in 2013–2020. The death rate was 37.8%. Strain susceptibility to antimicrobials was determined on the Vitek-2 instrument. Whole-genome sequencing was conducted using Illumina technology; the sequence types (ST), capsular types (KL), lipooligosaccharide outer core locus (OCL), antimicrobial resistance genes, and virulence genes were identified. The prevalent ST was ST2, belonging to the international clone IC2, and rarer, ST1, ST19, ST45, ST78, ST106, and ST400, with prevalence of KL9 and OCL1. Twenty-nine strains belonged to multidrug-resistant (MDR) and eight extensively drug-resistant (XDR) categories. Genes conferring resistance to beta-lactams (blaPER, blaGES, blaADC, blaCARB, blaCTX-M, blaTEM, and blaOXA-types), aminoglycosides (aac, aad, ant, aph, and arm), tetracyclines (tet), macrolides (msr and mph), phenicols (cml, cat, and flo), sulfonamides (dfr and sul), rifampin (arr), and antiseptics (qac) were identified. Virulence genes of nine groups (Adherence, Biofilm formation, Enzymes, Immune evasion, Iron uptake, Regulation, Serum resistance, Stress adaptation, and Antiphagocytosis) were detected. The study highlights the heterogeneity in genetic clones, antimicrobial resistance, and virulence genes variability among the agents of A. baumannii meningitis, with the prevalence of the dominant international clone IC2.
Probiotics in Orthopedics: From Preclinical Studies to Current Applications and Future Perspective
Authors: Mazzotti Antonio , Langone Laura , Arceri Alberto , Artioli Elena , Zielli Simone Ottavio , Bonelli Simone , Abdi Pejman , Faldini Cesare
Published: August 2023

In recent years, probiotics have been emerging as an attractive therapeutic strategy for several diseases. In orthopedics, probiotics seem to be a promising supplementation for treatment of osteoporosis, osteoarthritis, muscle loss-related disease, wound and ulcer issues, and prevention of surgical antibiotic prophylaxis side effects. Although probiotics are still not included in guidelines for these conditions, several studies have reported theoretical benefits of their administration. Further high-level clinical trials are necessary to convert research into solid clinical practice. However, probiotics represent a cost-effective future perspective and may play a role in association with traditional orthopedic therapies.
Phylogenetic Inferences Based on Distinct Molecular Markers Confirm a Novel Babesia Species (Babesia goianiaensis nov. sp.) in Capybaras (Hydrochoerus hydrochaeris) and Associated Ticks
Authors: Krawczak Felipe da Silva , Calchi Ana Cláudia , Neves Lucianne Cardoso , Dias Sarah Alves , da Silva Bianca Barbara Fonseca , Paula Warley Vieira de Freitas , de Paula Luiza Gabriella Ferreira , Tavares Mariana Avelar , Pádua Gracielle Teles , de Lima Nicolas Jalowitzki , Cardoso Ennya Rafaella Neves , Graziani Daniel , Dantas-Torres Filipe , André Marcos Rogério
Published: August 2023

Piroplasmids (order Piroplasmida) are a diverse group of tick-borne protozoa that may cause disease in animals and occasionally in humans. Novel Piroplasmida clades and species have been found in wild animals from Brazil based on the phylogenetic assessment of near-complete 18S rRNA, mitochondrial and heat-shock protein genes. For instance, a putative novel Babesia species has been detected in capybaras and Amblyomma ticks in three Brazilian states. The present work aimed to describe, using phylogenetic assessments based on distinct molecular markers, this novel Babesia species in capybaras and associated ticks (Amblyomma sculptum and Amblyomma dubitatum) sampled in Goiânia city, Goiás state, midwestern Brazil. While the phylogenetic analysis based on both near-complete 18S rRNA and hsp-70 genes positioned the sequences obtained from capybara blood samples into a new clade sister to the Babesia sensu stricto clade, the phylogenetic inference based on the COX-3 amino acid positioned the obtained sequences from capybara blood samples and A. sculptum ticks also into a clade sister to the Theileria sensu stricto clade, highlighting the inappropriateness of this marker inferring evolutionary relationships among piroplasmids. Pairwise distance analysis demonstrated that the divergence rates between the 18S rRNA sequences detected in capybaras and other Piroplasmida already described were very high and ranged from 9.4 to 12.9%. Genotype analysis based on the near-full 18S rRNA sequences of the Piroplasmida detected in capybaras and associated ticks demonstrated the occurrence of high genotype diversity at an intra-species level. In conclusion, phylogenetic analyses based on distinct molecular markers supported the description of Babesia goianiaensis nov. sp. in capybaras and associated Amblyomma ticks. Additionally, a novel phylogenetic clade, apart from the previously described ones, was described in the present study and contributed to untangling the complex evolutionary history of the Piroplasmida.
Trends in Food Pathogens Risk Attenuation
Authors: Popa Elisabeta Elena , Ungureanu Elena Loredana , Geicu-Cristea Mihaela , Mitelut Amalia Carmen , Draghici Mihaela Cristina , Popescu Paul Alexandru , Popa Mona Elena
Published: August 2023

Foodborne pathogens represent one of the most dangerous threats to public health along the food chain all over the world. Over time, many methods were studied for pathogen inhibition in food, such as the development of novel packaging materials with enhanced properties for microorganisms’ growth inhibition (coatings, films) and the use of emerging technologies, like ultrasound, radio frequency or microwave. The aim of this study was to evaluate the current trends in the food industry for pathogenic microorganisms’ inhibition and food preservation in two directions, namely technology used for food processing and novel packaging materials development. Five technologies were discussed in this study, namely high-voltage atmospheric cold plasma (HVACP), High-Pressure Processing (HPP), microwaves, radio frequency (RF) heating and ultrasound. These technologies proved to be efficient in the reduction of pathogenic microbial loads in different food products. Further, a series of studies were performed, related to novel packaging material development, by using a series of antimicrobial agents such as natural extracts, bacteriocins or antimicrobial nanoparticles. These materials proved to be efficient in the inhibition of a wide range of microorganisms, including Gram-negative and Gram-positive bacteria, fungi and yeasts.
Genesis and Geological Significance of Permian Oilfield Water in the Western Periphery of the Mahu Sag, Junggar Basin, China
Authors: Li Jiasi , Zhang Shuncun , Jin Jun , Jin Aimin , Lou Zhanghua , Zhu Rong
Published: August 2023

Oilfield water contains valuable geological information and plays an important role in petroliferous basins, being closely related to diagenesis, reservoir physical properties, and hydrocarbon preservation conditions. Here we present a case study of oilfield water in Permian formations in the western periphery of the Mahu Sag, Junggar Basin, China. The genesis of oilfield water and its application in oil exploration were investigated through the coupling of tectonic activity, paleoclimate, and water–rock interaction. Volcanic activity provided a rich source of ions, and a hot paleoclimate intensifies the evaporation and concentration of sedimentary water. Tectonic fractures offered channels for water exchange among formations. Water–rock reactions, marked by sodic feldspathization and calcium feldspar dissolution, had profound effects on the oilfield water type and reservoir properties. We established a link between oilfield water and favorable targets for oil exploration. In terms of vertical trends, the Jiamuhe and Upper and Lower Urho formations have strong sealing abilities for hydrocarbon preservation. In the horizontal dimension, areas with high total-dissolved-solid and CaCl2 concentrations, low rNa/rCl, rSO4 × 100/rCl, (rHCO3+CO3)/rCa, and rMg/rCa ratios are favorable for oil exploration.
Heavy Metal Regularity of Carboniferous Weathered Black Shale in Qiziqiao Area, Central Hunan
Authors: He Wanghu , Dai Deqiu , Ren Bozhi , Tang Zhanyu , Qiu Yu
Published: August 2023

The Hunan region is a high geological background area of black rock series rich in various metallic elements; accordingly, local heavy metal pollution is severe. Previous studies on black shale have primarily focused on the lower Cambrian strata, while research on Carboniferous black shale remains scarce. To better explore the activity law of heavy metals during Carboniferous black shale weathering, this study analyzed the elemental components of samples through field observations of outcrops in the Qiziqiao area of central Hunan province, China using inductively coupled plasma mass spectrometry and X-ray fluorescence spectrometry. The results showed that the heavy metal content of black shale under different degrees of weathering varied greatly, with different heavy metals maintaining distinct migration and enrichment rules throughout this process. The heavy metal content in Carboniferous black shale and soils of central Hunan was generally less than that of the regional lower Cambrian black shale and soil; however, the Cd content in the black shale soil was slightly higher than background values, while the Sr content was substantially higher than background values. Heavy metals V, Cr, Co, Ni, Cu, and Pb were not generally leached or released during weathering, and may undergo relative enrichment or secondary enrichment. Comparatively, Zn, Cd, and Ba can be more readily leached and released, and may undergo secondary enrichment. The lithophilic element Sr tended to leach out overall and expressed strong activity, whereas the chemical activities of the high-field-strength elements, Zr and Hf, were relatively stable. During soil formation, all heavy metal elements save Sr were significantly enriched. The enrichment factor analysis of different degrees of weathered black shale reveals that the heavy metals Ba, Hf, and Sr in black shale soil originate from the parent rock. V, Cr, Co, Ni, Cu, Zn, Cd, and Pb are influenced by both natural and anthropogenic factors, with Cd being significantly impacted by human activities. The evaluation of soil heavy metals using the geoaccumulation index method indicates that V, Cr, Co, Ni, Cu, Zn, Zr, Ba, Hf, and Pb are non-polluted, Cd exhibits moderate pollution, and Sr shows moderately heavy pollution. From a geochemical perspective, it can be inferred that heavy metals in black shale soil are likely to be secondarily enriched in clay and iron oxide minerals.
The Mechanism of Viscosity-Enhancing Admixture in Backfill Slurry and the Evolution of Its Rheological Properties
Authors: Yang Liuhua , Jia Hengwei , Jiao Huazhe , Dong Mengmeng , Yang Tongyi
Published: August 2023

Since filling slurry is a cement-based material, viscosity-enhancing admixture exerts a significant effect on its rheological performance and mechanical properties. Viscosity-enhancing admixture can improve pipeline transportation performance and reduce pipeline wear during the filling process of a kilometer-deep mine by changing the plastic viscosity and yield stress of high-concentration filling slurries. In order to reveal the influence mechanism of viscosity-enhancing admixture on rheological performance in slurry, the influence of viscosity-enhancing admixture on the rheological performance of slurry is explored by adjusting viscosity-enhancing admixture dosage and conducting bleeding test, liquidity test, and rheological performance test. The extended DLVO theory is employed to analyze the mechanism of HPMC on the stability of filling slurry. The results show that compared with ordinary slurry, after adding HPMC and XG, the particles of filling slurry are prone to link to form a mesh structure. Besides, the increasing frictional force between particles results in a significant decrease in the bleeding rate and liquidity of the slurry. Such an effect becomes more obvious with the increase of viscosity-enhancing admixture dosage. Meanwhile, the overall effect of HPMC molecules is better than that of XG molecules since HPMC can reduce inter-particle repulsion and facilitate particle aggregation. The optimal dosage is about 0.1%, at which time the yield stress of the filling slurry increases from 89.236 to 160.06 Pa, the plastic viscosity increases from 0.296 to 1.063 Pa·s, and the compressive strength increases from 2.58 to 3.59 MPa in 28 days. The study reveals the influence of viscosity-enhancing admixture on the rheological performance of filling slurry and its evolution characteristics, which provides theoretical support for the development of filling resistance and wear reduction technology.
Using 1D Thermal Modeling to Evaluate Formation Models of Mafic-Ultramafic Intrusions and Associated Sulfide Cu-Ni-PGE Mineralization
Authors: Stepenshchikov Dmitry , Groshev Nikolay
Published: August 2023

In this paper, we trace the thermal history of the mafic–ultramafic intrusions of the Monchegorsk (MC), Fedorova–Pana (FPC), and Norilsk ore-bearing complexes (NC) using an upgraded version of the author’s software Gehenna 2.2. It is shown that a key role in the concentration of sulfides in the lower parts of the intrusions belongs to the preliminary heating of the host rocks by early magmatic influxes. In the presence of late ore-bearing magmatic phases of a relatively small volume, the pattern of sulfide distribution within such a phase can be used to estimate the time gap with the main influx. Thermal modeling shows that the Gabbro-10 massif, an additional ore-bearing phase of the Nyud-Poaz intrusion of the MC, is separated from the main influx by a time gap of no more than 100 ka, while the minimum gap between the magmatic phases of the Fedorova intrusion of the FPC is 650–700 ka. The development of a hornfels halo around mafic–ultramafic rocks makes it possible to estimate the duration of the process of continuous magma flow inside intrusions, which, as an example from the Kharaelakh intrusion of the NC shows, can reach 1000 years and more. Thermal modeling is recommended both for formulating genetic hypotheses and for testing different scenarios for the formation of sulfide Cu-Ni-PGE mineralization in mafic–ultramafic complexes.
Russian Doll-like 3d–4f Cluster Wheels with Slow Relaxation of Magnetization
Authors: Liu Lan , Yang Panpan , Qiu Zhihui , Wang Kai , Liu Dongcheng , Liang Yuning , Hu Huancheng , Zou Huahong , Liang Fupei , Chen Zilu
Published: August 2023

The solvothermal reactions of LnCl3·6H2O and MCl2·6H2O (M = Co, Ni) with 2,2′-diphenol (H2L1) and 5,7-dichloro-8-hydroxyquinoline (HL2) gave three 3d–4f heterometallic wheel-like nano-clusters [Ln7M6(L1)6(L2)6(µ3-OH)6(OCH3)6Cl(CH3CN)6]Cl2·xH2O (Ln = Dy, M = Co, x = 3 for 1; Ln = Dy, M = Ni, x = 0 for 2; Ln = Tb, M = Ni, x = 0 for 3) with similar cluster structure. The innermost Ln(III) ion is encapsulated in a planar Ln6 ring which is further embedded in a chair-conformation M6 ring, constructing a Russian doll-like 3d–4f cluster wheel Ln(III)⸦Ln6⸦M6. 2 and 3 show obvious slow magnetic relaxation behavior with negligible opening of the magnetic hysteresis loop. Such a Russian doll-like 3d–4f cluster wheel with the lanthanide disc isolated by transition metallo-ring is rarely reported.
Identification and Quantitation of the Bioactive Components in Wasted Aralia elata Leaves Extract with Endothelial Protective Activity
Authors: Gao Dan , Cho Chong-Woon , Yang Zemin , Li Xiwen , Kang Jong-Seong
Published: August 2023

Aralia elata, a renowned medicinal plant with a rich history in traditional medicine, has gained attention for its potential therapeutic applications. However, the leaves of this plant have been largely overlooked and discarded due to limited knowledge of their biological activity and chemical composition. To bridge this gap, a comprehensive study was conducted to explore the therapeutic potential of the 70% ethanol extract derived from Aralia elata leaves (LAE) for the treatment of cardiovascular disease (CVD). Initially, the cytotoxic effects of LAE on human umbilical vein endothelial cells (HUVECs) were assessed, revealing no toxicity within concentrations up to 5 μg/mL. This suggests that LAE could serve as a safe raw material for the development of health supplements and drugs aimed at promoting cardiovascular well-being. Furthermore, the study found that LAE extract demonstrated anti-inflammatory properties in HUVECs by modulating the PI3K/Akt and MAPK signaling pathways. These findings are particularly significant as inflammation plays a crucial role in the progression of CVD. Moreover, LAE extract exhibited the ability to suppress the expression of adhesion molecules VCAM-1 and ICAM-1, which are pivotal in leukocyte migration to inflamed blood vessels observed in various pathological conditions. In conjunction with the investigation on therapeutic potential, the study also established an optimal HPLC–PDA–ESI–MS/MS method to identify and confirm the chemical constituents present in 24 samples collected from distinct regions in South Korea. Tentative identification revealed the presence of 14 saponins and nine phenolic compounds, while further analysis using PCA and PLS-DA allowed for the differentiation of samples based on their geographical origins. Notably, specific compounds such as chlorogenic acid, isochlorogenic acid A, and quercitrin emerged as marker compounds responsible for distinguishing samples from different regions. Overall, by unraveling its endothelial protective activity and identifying key chemical constituents, this research not only offers valuable insights for the development of novel treatments but also underscores the importance of utilizing and preserving natural resources efficiently.
Copper (II) Ions Induced Self-Disproportionation of Enantiomers in Capillary Electrophoresis for the Quantification of Atenolol Enantiomers
Authors: Hu Shaoqiang
Published: August 2023

Despite the fact that the self-disproportionation of enantiomers (SDE) has been found for several decades and has been widely used in crystallization, sublimation and chromatography for the purification or separation of nonracemic compounds, the phenomenon of SDE in capillary electrophoresis (CE) has never been reported up to now. Here, a new approach to separate enantiomers in CE based on SDE was demonstrated by introducing copper (II) ions into the separation media. The enantiomers of atenolol interact with copper ions to produce positively charged complexes with different electrophoretic mobilities from the single molecules. The dynamic equilibrium between homo- or heterochiral complexes (associates) and single molecules of atenolol enantiomers supports the manifestation of SDE. Different mobilities of the single molecules and associates, and different distribution of two enantiomers between the single molecules and associates caused by their different concentrations, produce a net difference in electrodriven migration velocities of the two enantiomers. The relative movement of two enantiomers causes a zone depleted in one enantiomer at the rear end of sample segment, giving a trapezoidal CE curve with a step at the end. Quantification of enantiomers is achieved according to the step height. The analysis does not rely on the use of enantiomerically pure chiral selector and the result agrees with that obtained by conventional chiral CE using a chiral selector.
Herbicide and Cytogenotoxic Activity of Inclusion Complexes of Psidium gaudichaudianum Leaf Essential Oil and β-Caryophyllene on 2-Hydroxypropyl-β-cyclodextrin
Authors: Mendes Luiza Alves , Vasconcelos Loren Cristina , Fontes Milene Miranda Praça , Martins Geisiele Silva , Bergamin Aline dos Santos , Silva Matheus Alves , Silva Rafael Resende Assis , Oliveira Taíla Veloso de , Souza Victor Gomes Lauriano , Ferreira Marcia Flores da Silva , Teixeira Róbson Ricardo , Lopes Renata Pereira
Published: August 2023

The present investigation aimed to develop inclusion complexes (ICs) from Psidium gaudichaudianum (GAU) essential oil (EO) and its major compound β-caryophyllene (β-CAR), and to evaluate their herbicidal (against Lolium multiflorum and Bidens pilosa) and cytogenotoxic (on Lactuca sativa) activities. The ICs were obtained using 2-hydroxypropyl-β-cyclodextrin (HPβCD) and they were prepared to avoid or reduce the volatility and degradation of GAU EO and β-CAR. The ICs obtained showed a complexation efficiency of 91.5 and 83.9% for GAU EO and β-CAR, respectively. The IC of GAU EO at a concentration of 3000 µg mL−1 displayed a significant effect against weed species B. pilosa and L. multiflorum. However, the β-CAR IC at a concentration of 3000 µg mL−1 was effective only on L. multiflorum. In addition, the cytogenotoxic activity evaluation revealed that there was a reduction in the mitotic index and an increase in chromosomal abnormalities. The produced ICs were able to protect the EO and β-CAR from volatility and degradation, with a high thermal stability, and they also enabled the solubilization of the EO and β-CAR in water without the addition of an organic solvent. Therefore, it is possible to indicate the obtained products as potential candidates for commercial exploration since the ICs allow the complexed EO to exhibit a more stable chemical constitution than pure EO under storage conditions.
Halogen Bonding in Sulphonamide Co-Crystals: X···π Preferred over X···O/N?
Authors: Heinen Tobias , Merzenich Sarah , Kwill Angelina , Vasylyeva Vera
Published: August 2023

Sulphonamides have been one of the major pharmaceutical compound classes since their introduction in the 1930s. Co-crystallisation of sulphonamides with halogen bonding (XB) might lead to a new class of pharmaceutical-relevant co-crystals. We present the synthesis and structural analysis of seven new co-crystals of simple sulphonamides N-methylbenzenesulphonamide (NMBSA), N-phenylmethanesulphonamide (NPMSA), and N-phenylbenzenesulphonamide (BSA), as well as of an anti-diabetic agent Chlorpropamide (CPA), with the model XB-donors 1,4-diiodotetrafluorobenzene (14DITFB), 1,4-dibromotetrafluorobenzene (14DBTFB), and 1,2-diiodotetrafluorobenzene (12DITFB). In the reported co-crystals, X···O/N bonds do not represent the most common intermolecular interaction. Against our rational design expectations and the results of our statistical CSD analysis, the normally less often present X···π interaction dominates the crystal packing. Furthermore, the general interaction pattern in model sulphonamides and the CPA multicomponent crystals differ, mainly due to strong hydrogen bonds blocking possible interaction sites.
Investigations of Electronic, Structural, and In Silico Anticancer Potential of Persuasive Phytoestrogenic Isoflavene-Based Mannich Bases
Authors: Mutahir Sadaf , Khan Muhammad Asim , Mushtaq Maryam , Deng Haishan , Naglah Ahmed M. , Almehizia Abdulrahman A. , Al-Omar Mohamed A. , Alrayes Faris Ibrahim , Kalmouch Atef , El-Mowafi Shaima A. , Refat Moamen S.
Published: August 2023

Isoflavenes have received the greatest research attention among the many groups of phytoestrogens. In this study, various isoflavene-based Mannich bases were selected for their theoretical studies. The purpose of this research was to discover the binding potential of all the designated Mannich bases acting as inhibitors against cancerous proteins EGFR, cMet, hTrkA, and HER2 (PDB codes: 5GTY, 3RHK, 6PL2, and 7JXH, respectively). For their virtual screening, DFT calculations and molecular docking studies were undertaken using in silico software. Docking studies predicted that ligands 5 and 15 exhibited the highest docking score by forming hydrogen bonds within the active pocket of protein 6PL2, ligands 1 and 15 both with protein 3RHK, and 7JXH, 12, and 17 with protein 5GTY. Rendering to the trends in polarizability and dipole moment, the energy gap values (0.2175 eV, 0.2106 eV) for the firm conformers of Mannich bases (1 and 4) replicate the increase in bioactivity and chemical reactivity. The energy gap values (0.2214 eV and 0.2172 eV) of benzoxazine-substituted isoflavene-based Mannich bases (9 and 10) reflect the increase in chemical potential due to the most stable conformational arrangements. The energy gap values (0.2188 eV and 0.2181 eV) of isoflavenes with tertiary amine-based Mannich bases (14 and 17) reflect the increase in chemical reactivity and bioactivity due to the most stable conformational arrangements. ADME was also employed to explore the pharmacokinetic properties of targeted moieties. This study revealed that these ligands have a strong potential to be used as drugs for cancer treatment.
Studies of Benzotriazole on and into the Copper Electrodeposited Layer by Cyclic Voltammetry, Time-of-Flight Secondary-Ion Mass Spectrometry, Atomic Force Microscopy, and Surface Enhanced Raman Spectroscopy
Authors: Mroczka Robert , Słodkowska Agnieszka
Published: August 2023

Benzotriazole (BTA) is an important compound that demonstrates the strongest anticorrosion properties of copper and plays a role as a leveler and an additive to the electroplating bath for control of the roughness and corrosion resistance of the electrodeposited copper layer. In this paper, we combined cyclic voltammetry (CV), time-of-flight secondary-ion mass spectrometry (TOF-SIMS), surface enhanced Raman spectroscopy (SERS), and atomic force microscopy (AFM) to study the interaction of BTA with copper surfaces at varied concentrations with and without the presence of chloride ions. We identified the most relevant molecular copper and its complex forms with BTA on the copper electrodeposited layer. BTA is adsorbed and incorporated into the copper surface in monomeric, dimeric, trimeric, tetrameric, and pentameric forms, inhibiting the copper electrodeposition. The addition of chloride ions diminishes the inhibiting properties of BTA. The Cu-BTA-Cl complexes were identified in the forms C12H8N6Cu2Cl− and C6H4N3CuCl−. Coadsorption of chloride ions and BTA molecules depends on their concentration and applied potential. Chloride ions are replaced by BTA molecules. BTA and chloride ions, depending on their concentration and applied potential, control the copper nucleation processes at the micro- and nanoscales. We compared the abilities and limitations of TOF-SIMS and SERS for studies of the interactions of benzotriazole with copper and chloride ions at the molecular level.
Computer-Aided Drug Design of Novel Derivatives of 2-Amino-7,9-dihydro-8H-purin-8-one as Potent Pan-Janus JAK3 Inhibitors
Authors: Faris Abdelmoujoud , Ibrahim Ibrahim M. , Al kamaly Omkulthom , Saleh Asmaa , Elhallaoui Menana
Published: August 2023

Rheumatoid arthritis (RA) remains one of the most prevalent autoimmune diseases worldwide. Janus kinase 3 (JAK3) is an essential enzyme for treating autoimmune diseases, including RA. Molecular modeling techniques play a crucial role in the search for new drugs by reducing time delays. In this study, the 3D-QSAR approach is employed to predict new JAK3 inhibitors. Two robust models, both field-based with R2 = 0.93, R = 0.96, and Q2 = 87, and atom-based with R2 = 0.94, R = 0.97, and Q2 = 86, yielded good results by identifying groups that may readily direct their interaction. A reliable pharmacophore model, DHRRR1, was provided in this work to enable the clear characterization of chemical features, leading to the design of 13 inhibitors with their pIC50 values. The DHRRR1 model yielded a validation result with a ROC value of 0.87. Five promising inhibitors were selected for further study based on an ADMET analysis of their pharmacokinetic properties and covalent docking (CovDock). Compared to the FDA-approved drug tofacitinib, the pharmaceutical features, binding affinity and stability of the inhibitors were analyzed through CovDock, 300 ns molecular dynamics simulations, free energy binding calculations and ADMET predictions. The results show that the inhibitors have strong binding affinity, stability and favorable pharmaceutical properties. The newly predicted molecules, as JAK3 inhibitors for the treatment of RA, are promising candidates for use as drugs.
Bioactive Metabolites from Terrestrial and Marine Actinomycetes
Authors: Ngamcharungchit Chananan , Chaimusik Nutsuda , Panbangred Watanalai , Euanorasetr Jirayut , Intra Bungonsiri
Published: August 2023

Actinomycetes inhabit both terrestrial and marine ecosystems and are highly proficient in producing a wide range of natural products with diverse biological functions, including antitumor, immunosuppressive, antimicrobial, and antiviral activities. In this review, we delve into the life cycle, ecology, taxonomy, and classification of actinomycetes, as well as their varied bioactive metabolites recently discovered between 2015 and 2023. Additionally, we explore promising strategies to unveil and investigate new bioactive metabolites, encompassing genome mining, activation of silent genes through signal molecules, and co-cultivation approaches. By presenting this comprehensive and up-to-date review, we hope to offer a potential solution to uncover novel bioactive compounds with essential activities.
Photocatalytic Self-Fenton System of g-C3N4-Based for Degradation of Emerging Contaminants: A Review of Advances and Prospects
Authors: Chen Zhouze , Yan Yujie , Lu Changyu , Lin Xue , Fu Zhijing , Shi Weilong , Guo Feng
Published: August 2023

The discharge of emerging pollutants in the industrial process poses a severe threat to the ecological environment and human health. Photocatalytic self-Fenton technology combines the advantages of photocatalysis and Fenton oxidation technology through the in situ generation of hydrogen peroxide (H2O2) and interaction with iron (Fe) ions to generate a large number of strong reactive oxygen species (ROS) to effectively degrade pollutants in the environment. Graphite carbon nitride (g-C3N4) is considered as the most potential photocatalytic oxygen reduction reaction (ORR) photocatalyst for H2O2 production due to its excellent chemical/thermal stability, unique electronic structure, easy manufacturing, and moderate band gap (2.70 eV). Hence, in this review, we briefly introduce the advantages of the photocatalytic self-Fenton and its degradation mechanisms. In addition, the modification strategy of the g-C3N4-based photocatalytic self-Fenton system and related applications in environmental remediation are fully discussed and summarized in detail. Finally, the prospects and challenges of the g-C3N4-based photocatalytic self-Fenton system are discussed. We believe that this review can promote the construction of novel and efficient photocatalytic self-Fenton systems as well as further application in environmental remediation and other research fields.
Comparative Analysis of Primers Used for 16S rRNA Gene Sequencing in Oral Microbiome Studies
Authors: Na Hee Sam , Song Yuri , Yu Yeuni , Chung Jin
Published: August 2023

Recent advances in genomic technologies have enabled more in-depth study of the oral microbiome. In this study, we compared the amplicons generated by primers targeting different sites of the 16S rRNA gene found in the Human Oral Microbiome Database (HOMD). Six sets of primer targeting V1–V2, V1–V3, V3–V4, V4–V5, V5–V7 and V6–V8 regions of 16S rRNA were tested via in silico simulation. Primers targeting the V1–V2, V3–V4, and V4–V5 regions generated more than 90% of the original input sequences. Primers targeting the V1–V2 and V1–V3 regions exhibited a low number of mismatches and unclassified sequences at the taxonomic level, but there were notable discrepancies at the species level. Phylogenetic tree comparisons showed primers targeting the V1–V2 and V3–V4 regions showed performances similar to primers targeting the whole 16s RNA region in terms of separating total oral microbiomes and periodontopathogens. In an analysis of clinical oral samples, V1–V2 primers showed superior performance for identifying more taxa and had better resolution sensitivity for Streptococcus than V3–V4 primers. In conclusion, primers targeting the V1–V2 region of 16S rRNA showed the best performance for oral microbiome studies. In addition, the study demonstrates the need for careful PCR primer selections.
Biobased Electronics: Tunable Dielectric and Piezoelectric Cellulose Nanocrystal—Protein Films
Authors: Voignac Daniel , Belsey Shylee , Wermter Elisabeth , Paltiel Yossi , Shoseyov Oded
Published: August 2023

Cellulose has been a go-to material for its dielectric properties from the onset of capacitor development. The demand for an energy storage solution continues to grow, but the supply remains limited and relies too often on fossil and mined materials. This work proposes a fully sustainable and green method with which to produce dielectric thin films made of renewable and degradable materials. Cellulose nanocrystals (CNC) made an excellent matrix for the dispersion of proteins and the fabrication of robust transparent thin films with enhanced dielectric permittivity. A range of proteins sources, additives and concentrations allowed for us to control the dielectric permittivity from εr = 4 to 50. The proteins screened came from animal and plant sources. The films were formed from drying a water suspension of the CNC and proteins through evaporation-induced self-assembly. This yielded nano-layered structures with very high specific surface areas, ideal for energy storage devices. The resulting films were characterized with respect to the electrical, mechanical, piezoelectric, and optical properties to be compared. Electrically conductive (σ = 1.53 × 103 S/m) CNC films were prepared with carbon nanotubes (CNT). The fabricated films were used to make flexible, sustainable, and degradable capacitors by layering protein-based films between CNC–CNT composite films.
Boosting the Self-Trapped Exciton Emission in Cs4SnBr6 Zero-Dimensional Perovskite via Rapid Heat Treatment
Authors: Wu Haixia , Lin Zhenxu , Song Jie , Zhang Yi , Guo Yanqing , Zhang Wenxing , Huang Rui
Published: August 2023

Zero-dimensional (0D) tin halide perovskites feature extraordinary properties, such as broadband emission, high photoluminescence quantum yield, and self-absorption-free characteristics. The innovation of synthesis approaches for high-quality 0D tin halide perovskites has facilitated the flourishing development of perovskite-based optoelectronic devices in recent years. However, discovering an effective strategy to further enhance their emission efficiency remains a considerable challenge. Herein, we report a unique strategy employing rapid heat treatment to attain efficient self-trapped exciton (STE) emission in Cs4SnBr6 zero-dimensional perovskite. Compared to the pristine Cs4SnBr6, rapid thermal treatment (RTT) at 200 °C for a duration of 120 s results in an augmented STE emission with the photoluminescence (PL) quantum yield rising from an initial 50.1% to a substantial 64.7%. Temperature-dependent PL spectra analysis, Raman spectra, and PL decay traces reveal that the PL improvement is attributed to the appropriate electron–phonon coupling as well as the increased binding energies of STEs induced by the RTT. Our findings open up a new avenue for efficient luminescent 0D tin-halide perovskites toward the development of efficient optoelectronic devices based on 0D perovskites.
Plant Photocatalysts: Photoinduced Oxidation and Reduction Abilities of Plant Leaf Ashes under Solar Light
Authors: Ma Xiaoqian , He Jiao , Liu Yu , Bai Xiaoli , Leng Junyang , Zhao Yi , Chen Daomei , Wang Jiaqiang
Published: August 2023

Plant leaf ashes were obtained via the high temperature calcination of the leaves of various plants, such as sugarcane, couchgrass, bracteata, garlic sprout, and the yellowish leek. Although the photosynthesis systems in plant leaves cannot exist after calcination, minerals in these ashes were found to exhibit photochemical activities. The samples showed solar light photocatalytic oxidation activities sufficient to degrade methylene blue dye. They were also shown to possess intrinsic dehydrogenase-like activities in reducing the colorless electron acceptor 2,3,5-triphenyltetrazolium chloride to a red formazan precipitate under solar light irradiation. The possible reasons behind these two unreported phenomena were also investigated. These ashes were characterized using a combination of physicochemical techniques. Moreover, our findings exemplify how the soluble and insoluble minerals in plant leaf ashes can be synergistically designed to yield next-generation photocatalysts. It may also lead to advances in artificial photosynthesis and photocatalytic dehydrogenase.
In Situ Growth of CdZnS Nanoparticles@Ti3C2Tx MXene Nanosheet Heterojunctions for Boosted Visible-Light-Driven Photocatalytic Hydrogen Evolution
Authors: Li Zelin , Zhao Yang , Deng Qinglin , Zhu Xuhui , Tan Yipeng , Feng Ziwen , Ji Hao , Zhang Shan , Yao Lingmin
Published: August 2023

Using natural light energy to convert water into hydrogen is of great significance to solving energy shortages and environmental pollution. Due to the rapid recombination of photogenerated carriers after separation, the efficiency of photocatalytic hydrogen production using photocatalysts is usually very low. Here, efficient CdZnS nanoparticles@Ti3C2Tx MXene nanosheet heterojunction photocatalysts have been successfully prepared by a facile in situ growth strategy. Since the CdZnS nanoparticles uniformly covered the Ti3C2Tx Mxene nanosheets, the agglomeration phenomenon of CdZnS nanoparticles could be effectively inhibited, accompanied by increased Schottky barrier sites and an enhanced migration rate of photogenerated carriers. The utilization efficiency of light energy can be improved by inhibiting the recombination of photogenerated electron-hole pairs. As a result, under the visible-light-driven photocatalytic experiments, this composite achieved a high hydrogen evolution rate of 47.1 mmol h−1 g−1, which is much higher than pristine CdZnS and Mxene. The boosted photocatalytic performances can be attributed to the formed heterojunction of CdZnS nanoparticles and Ti3C2Tx MXene nanosheets, as well as the weakened agglomeration effects.
Associations of Food Addiction Symptomatology and Disordered Eating Behaviors in a Pre-Surgical Bariatric Population
Authors: Butt Melissa , Ssentongo Paddy , Rogers Ann M. , Rigby Andrea
Published: August 2023

The construct of food addiction (FA) has been highly debated in recent years particularly in the fields of disordered eating, medical weight management, and bariatric surgery. Some researchers have argued that FA symptoms are distinct, highly prevalent, and present a barrier for patients seeking medical treatment for obesity. The purpose of this study is to evaluate the cross-sectional associations between FA symptomatology, binge eating disorder (BED) and other appetitive traits, as well as dietary quality in a sample of adults with obesity seeking bariatric surgery. This post hoc analysis was conducted on a prospectively collected dataset from August 2020 to August 2022 at a single academic medical center. Descriptive statistics were used to characterize the sample. Additional analyses included: correlation coefficients, multivariable linear regression, and analysis of variance. A total of 587 patients were included in this analysis with low average scores for FA symptoms (mean: 1.48; standard deviation (SD): 2.15). Those with no BED symptoms had the lowest average FA symptoms scores (mean: 0.87; SD: 1.52) and those with both bingeing and LOCE had the highest average scores (mean: 3.35; SD: 2.81). This finding supports the hypothesis that, while related, FA and BED may represent different cognitions and behaviors.
Effect of Special Low-Protein Foods Consumption in the Dietary Pattern and Biochemical Profile of Patients with Inborn Errors of Protein Metabolism: Application of a Database of Special Low-Protein Foods
Authors: Garcia-Arenas Dolores , Barrau-Martinez Blanca , Gonzalez-Rodriguez Arnau , Llorach Rafael , Campistol-Plana Jaume , García-Cazorla Angeles , Ormazabal Aida , Urpi-Sarda Mireia
Published: August 2023

In inborn errors of intermediate protein metabolism (IEM), the effect of special low-protein foods (SLPFs) on dietary intake has been scarcely studied. The aim of this study was to compare the nutritional profile of SLPFs with usual foods and to assess whether their intake determines the dietary pattern and affects the plasma biochemical profile in children with IEMs with different protein restrictions. A database with the nutritional composition of 250 SLPFs was created. A total of 59 children with IEMs were included in this cross-sectional observational study. The greatest significant differences in macronutrient composition were observed between dairy, meat, fish, and egg SLPFs and regular foods. After stratifying subjects by SLPFs, the participants with the highest intake (>32%) had a higher total energy intake and lower intake of natural protein than those in the lowest tertile (<24%) (p < 0.05). However, when stratifying subjects by dairy SLPF intake, children in the highest tertile (>5%) showed a higher intake of sugars, total and saturated fats, and higher plasma levels of total and low-density lipoprotein cholesterol than those in the first tertile (<1%) (p < 0.05). The variability in the nutritional composition of SLPFs highlights the need for up-to-date databases which would greatly assist in optimizing individualized recommendations for children with IEMs and protein restrictions.