bluuebunny/crossref_metadata_2025 huggingface dataset:
Pain Control for Sickle Cell Crisis, a Novel Approach? A Retrospective Study
Authors: Rollé Amélie , Vidal Elsa , Laguette Pierre , Garnier Yohann , Delta Delphine , Martino Frédéric , Portecop Patrick , Etienne-Julan Maryse , Piednoir Pascale , De Jong Audrey , Romana Marc , Bernit Emmanuelle
Published: December 2023

Background and Objectives: Pain management poses a significant challenge for patients experiencing vaso-occlusive crisis (VOC) in sickle cell disease (SCD). While opioid therapy is highly effective, its efficacy can be impeded by undesirable side effects. Local regional anesthesia (LRA), involving the deposition of a perineural anesthetic, provides a nociceptive blockade, local vasodilation and reduces the inflammatory response. However, the effectiveness of this therapeutic approach for VOC in SCD patients has been rarely reported up to now. The objective of this study was to assess the effectiveness of a single-shot local regional anesthesia (LRA) in reducing pain and consequently enhancing the management of severe vaso-occlusive crisis (VOC) in adults with sickle cell disease (SCD) unresponsive to conventional analgesic therapy. Materials and Methods: We first collected consecutive episodes of VOC in critical care (ICU and emergency room) for six months in 2022 in a French University hospital with a large population of sickle cell patients in the West Indies population. We also performed a systematic review of the use of LRA in SCD. The primary outcome was defined using a numeric pain score (NPS) and/or percentage of change in opioid use. Results: We enrolled nine SCD adults (28 years old, 4 females) for ten episodes of VOC in whom LRA was used for pain management. Opioid reduction within the first 24 h post block was −75% (50 to 96%). Similarly, the NPS decreased from 9/10 pre-block to 0–1/10 post-block. Five studies, including one case series with three patients and four case reports, employed peripheral nerve blocks for regional anesthesia. In general, local regional anesthesia (LRA) exhibited a reduction in pain and symptoms, along with a decrease in opioid consumption post-procedure. Conclusions: LRA improves pain scores, reduces opioid consumption in SCD patients with refractory pain, and may mitigate opioid-related side effects while facilitating the transition to oral analgesics. Furthermore, LRA is a safe and effective procedure.
Evaluation of the Microbial Profile on the Polydioxanone Membrane and the Collagen Membrane Exposed to Multi-Species Subgingival Biofilm: An In Vitro Study
Authors: Cintra Moreira Marcus Vinícius , Figueiredo Luciene C. , da Cunha Melo Marcelo Augusto Ruiz , Uyeda Fabio Hideaki , da Silva Lucas Daylor Aguiar , Macedo Tatiane Tiemi , Sacco Roberto , Mourão Carlos Fernando , Shibli Jamil A. , Bueno-Silva Bruno
Published: December 2023

Dehiscence in surgeries involving membranes often leads to bacterial contamination, hindering the healing process. This study assessed bacterial colonization on various membrane materials. Polydioxanone (PDO) membranes, with thicknesses of 0.5 mm and 1 mm, and a collagen membrane were examined. Packages containing polystyrene pins were crafted using these membranes, attached to 24-well plates, and exposed to oral bacteria from supra and subgingival biofilm. After a week’s anaerobic incubation, biofilm formation was evaluated using the DNA–DNA hybridization test. Statistical analysis employed the Kruskal–Wallis test with Dunn’s post hoc test. The biofilm on the polystyrene pins covered by the 0.5 mm PDO membrane showed a higher count of certain pathogens. The collagen membrane had a greater total biofilm count on its inner surface compared to both PDO membranes. The external collagen membrane face had a higher total biofilm count than the 0.5 mm PDO membrane. Furthermore, the 1 mm PDO membrane exhibited a greater count of specific pathogens than its 0.5 mm counterpart. In conclusion, the collagen membrane presented more biofilm and pathogens both internally and on its inner surface.
Investigating Mass Transfer and Reaction Engineering Characteristics in a Membrane Biofilm Using Cupriavidus necator H16
Authors: Akkoyunlu Burcu , Daly Sorcha , Cerrone Federico , Casey Eoin
Published: December 2023

Membrane biofilm reactors are a growing trend in wastewater treatment whereby gas-transfer membranes provide efficient bubbleless aeration. Recently, there has been a growing interest in using these bioreactors for industrial biotechnology using microorganisms that can metabolise gaseous substrates. Since gas fermentation is limited by the low solubilities of gaseous substrates in liquid media, it is critical to characterise mass transfer rates of gaseous substrates to enable the design of membrane biofilm reactors. The objective of this study is to measure and analyse mass transfer rates and reaction engineering characteristics for a single tube membrane biofilm reactor using Cupriavidus necator H16. At elevated Reynolds numbers, the dominant resistance for gas diffusion shifts from the liquid boundary layer to the membrane. The biofilm growth rate was observed to decrease after 260 μm at 96 h. After 144 h, some sloughing of the biofilm occurred. Oxygen uptake rate and substrate utilisation rate for the biofilm developed showed that the biofilm changes from a single-substrate limited regime to a dual-substrate-limited regime after 72 h which alters the localisation of the microbial activity within the biofilm. This study shows that this platform technology has potential applications for industrial biotechnology.
Optimization of Flat-Rolling Parameters for Thermally Stable Alloy of Al-Cu-Mn System with Micro Additions of Si and Zr
Authors: Koshmin Alexander , Cherkasov Stanislav , Fortuna Anastasiya , Gamin Yury , Churyumov Alexander
Published: December 2023

The phase composition, microstructure, and mechanical properties of flat-rolled experimental Al-Cu-Mn system alloy with Si and Zr additions have been studied. The experimental results have been compared with data for the AA2219 commercial alloy pertaining to the same alloying system. Hot deformation of an experimental alloy causes the precipitation of ~100 nm sized dispersoids and refinement of the eutectic phase particles. The yield strength and relative elongation of the hot-deformed experimental alloy are 255 MPa and 8.6%, respectively. Subsequent cold deformation reduces the relative elongation by 3.5% and increases the yield strength by 50 MPa, while the ultimate tensile strength does not change. After long-term 350 °C exposure, the mechanical properties of the experimental alloy remain the same as those of the as-deformed one, whereas the yield strength of the 2219 alloy decreases by 2 times and the ultimate tensile strength by 1.4 times. Comparison of these experimental results with data for the 2219 alloy and other Al-Cu-Mn system alloys cited in this work and reported elsewhere suggests that a good thermal stability of Al-2Cu-2Mn-0.4Si-0.2Zr alloy rolled stock can be achieved through treatment using the regimes designed herein.
Validation of a Theoretical Model for Laser Welding Thermal Field by Multi-Physics Numerical Simulation
Authors: Giudice Fabio , Sili Andrea
Published: December 2023

Theoretical models based on solutions of the conduction heat transfer equation have been widely proposed to calculate the thermal fields generated during laser welding, revealing simplification benefits and limitations in the accuracy of the results. In previous papers, the authors have introduced a parameterized analytical model based on the configuration of a virtual system of multiple mobile heat sources that simulates the effects of an actual keyhole welding mode by setting the system parameters so as to fit the calculated contours of the fusion zone in the weld cross-section of the experimental one. Even though a basic validation was already carried out by experimental detection, in order to further strengthen the model validity, this article deals with an extensive comparison between the results obtained by a multi-physics numerical simulation, performed by a commercial CFD software, and a theoretical one. The two different approaches were applied to the laser beam welding of butt-positioned AISI 304L steel plates. The investigation was focused on the effects of the keyhole on the main morphological features of the melt pool and fusion zone, and on the thermal fields obtained by the two models. The intrinsic differences between the two approaches, and how they are reflected in the corresponding results, were discussed. Satisfactory results were obtained by comparing the thermal fields, with a substantial convergence of the results, so as to validate the analytical model, assess the accuracy of its results, and define its application limits.
Effect of Garlic Straw with Silage Corn Stalks on Hu Sheep Rumen Fermentation and Microbial Community In Vitro
Authors: Shen Yangyang , Zhang Jianli , Gui Hongbing , Wang Huili , Li Yinxia , Zhang Jun , Cao Shaoxian , Zhong Jifeng , Qian Yong , Meng Chunhua
Published: December 2023

Garlic, an important economic crop, provides nutrient-rich straw. When appropriately balanced with silage corn stalks, it is a high-quality forage resource. However, studies on the impact of garlic straw with silage corn stalks on Hu sheep’s digestive metabolism and rumen microbiota are scarce. In this study, different addition ratios of garlic straw and silage corn stalks were utilized for in vitro experiments. We designed six experimental groups (CON, G0, G20, G40, G60, G80, and G100) based on varying ratios of garlic straw to silage corn stalks. Rumen microbiota was analyzed through 16S rRNA sequencing. Nutrient composition analysis indicated that garlic straw’s relative feeding value (RFV) closely resembled that of silage corn stalks. After 24 h of fermentation, dry matter digestibility and in vitro gas production significantly increased, reaching peak values at a 60% addition ratio. Furthermore, volatile fatty acids (VFAs) such as acetic, propionic, and butyric acid exhibited elevated contents, with the highest yields observed at 60% inclusion. At the genus level, Prevotella, Rikenellaceae RC9 gut group, and Succiniclasticum were identified as the dominant bacterial groups. The gas production test showed a significant decrease in the G80 group compared to others. Microbial analysis revealed a higher abundance of Prevotella in G80 compared to G20, offering valuable insights for reducing greenhouse gas emissions from ruminant animals. Finally, this study predicted the impact of garlic straw with silage corn stalks’ addition on Hu sheep’s metabolic pathways and biological functions of the rumen microbiota. This research highlights the potential for effectively utilizing garlic straw as a feed resource for Hu sheep and proposes a rational proportion for combining garlic straw with silage corn stalks.
Tetraenone A: A New β-Ionone Derivative from Tetraena aegyptia
Authors: Ashour Ahmed , Sherif Asmaa E. , El-Sayed Selwan M. , Kim Ji-Young , Jang Dae Sik , Anvari Abtin , Farahat Abdelbasset A. , Ibrahim Sabrin R. M. , Mohamed Gamal A. , Ainousah Bayan E. , Aljohani Raghad F. , Al-Hejaili Razan R. , Khoja Rahaf H. , Hassan Ahmed H. E. , Zaki Ahmed A.
Published: December 2023

In this study, the chemical investigation of Tetraena aegyptia (Zygophyllaceae) led to the identification of a new megastigmene derivative, tetraenone A ((2S, 5R, 6R, 7E)-2-hydroxy-5,6-dihydro-β-ionone) (1), along with (3S, 5R, 6S, 7E)-3-hydroxy-5,6-epoxy-5,6-dihydro-β-ionone- (2), 3,4-dihydroxy-cinnamyl alcohol-4-glucoside (3), 3β,19α-dihydroxy-ursan-28-oic acid (4), quinovic acid (5), p-coumaric acid (6), and ferulic acid (7), for the first time. The chemical structures of 1–7 were confirmed by analysis of their 1D and 2D NMR and HRESIMS spectra and by their comparison with the relevant literature. The absolute configurations of 1 and 2 were assigned based on NOESY interactions and ECD spectra. Conformational analysis showed that 1 existed exclusively in one of the two theoretically possible chair conformers with a predominant s-trans configuration for the 3-oxobut-1-en-1-yl group with the ring, while the half-chair conformer had a pseudo-axial hydroxy group that was predominant over the other half-chair conformation. Boat conformations were not among the most stable conformations, and the s-trans isomerism was in favor of s-cis configuration. In silico investigation revealed that 1 and 2 had more favorable binding interactions with Mpro rather than with TMPRSS2. Accordingly, molecular dynamic simulations were performed on the complexes of compounds 1 and 2 with Mpro to explore the stability of their interaction with the target protein structure. Compounds 1 and 2 might offer a possible starting point for developing covalent inhibitors of Mpro of SARS-CoV-2.
Metabolomics: An Emerging “Omics” Platform for Systems Biology and Its Implications for Huntington Disease Research
Authors: Akyol Sumeyya , Ashrafi Nadia , Yilmaz Ali , Turkoglu Onur , Graham Stewart F.
Published: December 2023

Huntington’s disease (HD) is a progressive, fatal neurodegenerative disease characterized by motor, cognitive, and psychiatric symptoms. The precise mechanisms of HD progression are poorly understood; however, it is known that there is an expansion of the trinucleotide cytosine-adenine-guanine (CAG) repeat in the Huntingtin gene. Important new strategies are of paramount importance to identify early biomarkers with predictive value for intervening in disease progression at a stage when cellular dysfunction has not progressed irreversibly. Metabolomics is the study of global metabolite profiles in a system (cell, tissue, or organism) under certain conditions and is becoming an essential tool for the systemic characterization of metabolites to provide a snapshot of the functional and pathophysiological states of an organism and support disease diagnosis and biomarker discovery. This review briefly highlights the historical progress of metabolomic methodologies, followed by a more detailed review of the use of metabolomics in HD research to enable a greater understanding of the pathogenesis, its early prediction, and finally the main technical platforms in the field of metabolomics.
Methods to Improve Accuracy of Electronic Component Positioning in Thermoformed Electronics
Authors: Madadnia Behnam , Vanfleteren Jan , Bossuyt Frederick
Published: December 2023

Three new methods for accurate electronic component positioning for thermoformed electronics are presented in this paper. To maintain the mechanical and electrical properties of printed-ink tracks, prevent deformation and stretching during thermoforming, and ensure reproducibility, the component positioning principle for all three proposed methods is based on keeping the temperature of some regions in the thermoplastic substrate less than the glass transition temperature of the thermoplastic carrier, to keep those regions resistant to plastic deformation. We have verified the accuracy of the different approaches by implementing these methods in a semi-sphere mold for positioning seven LEDs and one printed capacitive touch sensor. We compared the result of our fabrication processes with the typical fabrication process of in-mold electronics (direct printing on a thermoplastic foil and followed by a thermoforming step) and noticed that the sample produced by the typical process had tracks that were randomly stretched, tracks were not in a straight path after thermoforming and they were not electrically conductive. Furthermore, the final 3D position of the components was not reproducible sample by sample. However, with our proposed fabrication methods, the tracks and pads do not deform or expand during thermoforming and are electrically conductive after. Moreover, the round shape of the touch sensor remains the same as in the 2D design. Based on the results of the experiments, it appears that the proposed methods are capable of positioning electronic components with high precision in thermoformed electronics.
Theoretical Justification of Structural, Magnetoelectronic and Optical Properties in QFeO3 (Q = Bi, P, Sb): A First-Principles Study
Authors: Parveen Amna , Abbas Zeesham , Hussain Sajjad , Shaikh Shoyebmohamad F. , Aslam Muhammad , Jung Jongwan
Published: December 2023

One of the primary objectives of scientific research is to create state-of-the-art multiferroic (MF) materials that exhibit interconnected properties, such as piezoelectricity, magnetoelectricity, and magnetostriction, and remain functional under normal ambient temperature conditions. In this study, we employed first-principles calculations to investigate how changing pnictogen elements affect the structural, electronic, magnetic, and optical characteristics of QFeO3 (Q = Bi, P, SB). Electronic band structures reveal that BiFeO3 is a semiconductor compound; however, PFeO3 and SbFeO3 are metallic. The studied compounds are promising for spintronics, as they exhibit excellent magnetic properties. The calculated magnetic moments decreased as we replaced Bi with SB and P in BiFeO3. A red shift in the values of ε2(ω) was evident from the presented spectra as we substituted Bi with Sb and P in BiFeO3. QFeO3 (Q = Bi, P, SB) showed the maximum absorption of incident photons in the visible region. The results obtained from calculating the optical parameters suggest that these materials have a strong potential to be used in photovoltaic applications.
Preparation, Stimulus–Response Mechanisms and Applications of Micro/Nanorobots
Authors: He Tao , Yang Yonghui , Chen Xue-Bo
Published: December 2023

Micro- and nanorobots are highly intelligent and efficient. They can perform various complex tasks as per the external stimuli. These robots can adapt to the required functional form, depending on the different stimuli, thus being able to meet the requirements of various application scenarios. So far, microrobots have been widely used in the fields of targeted therapy, drug delivery, tissue engineering, environmental remediation and so on. Although microbots are promising in some fields, few reviews have yet focused on them. It is therefore necessary to outline the current status of these microbots’ development to provide some new insights into the further evolution of this field. This paper critically assesses the research progress of microbots with respect to their preparation methods, stimulus–response mechanisms and applications. It highlights the suitability of different preparation methods and stimulus types, while outlining the challenges experienced by microbots. Viable solutions are also proposed for the promotion of their practical use.
Chameleon-Inspired Colorimetric Sensors for Real-Time Detections with Humidity
Authors: Cheng Yu-Hsuan , Kuo Ching-Te , Lian Bo-Yao
Published: December 2023

In recent decades, vapor sensors have gained substantial attention for their crucial roles in environmental monitoring and pharmaceutical applications. Herein, we introduce a chameleon-inspired colorimetric (CIC) sensor, detailing its design, fabrication, and versatile applications. The sensor seamlessly combines a PEDOT:PSS vapor sensor with a colorimetric display, using thermochromic liquid crystal (TLC). We further explore the electrical characteristics of the CIC sensor when doped with ethylene glycol (EG) and polyvinyl alcohol (PVA). Comparative analyses of resistance change rates for different weight ratios of EG and PVA provide insights into fine-tuning the sensor’s responsiveness to varying humidity levels. The CIC sensor’s proficiency in measuring ambient humidity is investigated under a voltage input as small as 2.6 V, capturing resistance change rates and colorimetric shifts at relative humidity (RH) levels ranging from 20% to 90%. Notably, the sensor exhibits distinct resistance sensitivities of 9.7 mΩ (0.02% ∆R/R0)/%RH, 0.5 Ω (0.86% ∆R/R0)/%RH, and 5.7 Ω (9.68% ∆R/R0)/%RH at RH 20% to 30%, RH 30% to 80%, and RH 80% to 90%, respectively. Additionally, a linear temperature change is observed with a sensitivity of −0.04 °C/%RH. The sensor also demonstrates a colorimetric temperature sensitivity of −82,036 K/%RH at RH 20% to 30% and −514 K/%RH at RH 30% to 90%, per captured image. Furthermore, real-time measurements of ethanol vapor with varying concentrations showcase the sensor’s applicability in gas sensing applications. Overall, we present a comprehensive exploration of the CIC sensor, emphasizing its design flexibility, electrical characteristics, and diverse sensing capabilities. The sensor’s potential applications extend to real-time environmental monitoring, highlighting its promising role in various gas sensing fields.
Precise Focal Spot Positioning on an Opaque Substrate Based on the Diffraction Phenomenon in Laser Microfabrication
Authors: Jing Xian , Zhao Pengju , Wang Fuzeng , Han Mingkun , Lin Jieqiong
Published: December 2023

The precise positioning of the laser focal spot on the substrate is an important issue for laser microfabrication. In this work, a diffraction pattern-based focal spot positioning method (DFSPM) is proposed to achieve the precise positioning of the laser focal spot on opaque substrates. A series of diffraction patterns of laser focus under-positioning, exact positioning and over-positioning were obtained to investigate the cross-section light distribution of the laser focal spot. According to the monotonic tendency of FWHM to exhibit light intensity at the focal spot cross-section away from the focal plane, the FWHM threshold of polynomial fitted curves was used to determine the exact positioning of laser focus. The ascending scanning method was used to obtain the diffraction patterns at various vertical positions and the FWHM threshold of light distribution at the exact position. The polynomial fitted curves verify the FWHM monotonic tendency of light intensity distribution at the focal spot cross-section along the optical axis. Precise positioning can be achieved with a 100 nm adjustment resolution. This work was expected to provide references for laser microfabrication on opaque materials.
An Automated Centrifugal Microfluidic Platform for Efficient Multistep Blood Sample Preparation and Clean-Up towards Small Ion-Molecule Analysis
Authors: Hou Yuting , Mishra Rohit , Zhao Yufeng , Ducrée Jens , Harrison Jed D.
Published: December 2023

Sample preparation for mass spectroscopy typically involves several liquid and solid phase clean-ups, extractions, and other unit operations, which are labour-intensive and error-prone. We demonstrate a centrifugal microfluidic platform that automates the whole blood sample’s preparation and clean-up by combining traditional liquid-phase and multiple solid-phase extractions for applications in mass spectroscopy (MS)-based small molecule detection. Liquid phase extraction was performed using methanol to precipitate proteins in plasma separated from a blood sample under centrifugal force. The preloaded solid phase composed of C18 beads then removed lipids with a combination of silica particles, which further cleaned up any remaining proteins. We further integrated the application of this sample prep disc with matrix-assisted laser desorption/ionization (MALDI) MS by using glancing angle deposition films, which further cleaned up the processed sample by segregating the electrolyte background from the sample salts. Additionally, hydrophilic interaction liquid chromatography (HILIC) MS was employed for detecting targeted free amino acids. Therefore, several representative ionic metabolites, including several amino acids and organic acids from blood samples, were analysed by both MALDI-MS and HILIC-MS to demonstrate the performance of this sample preparation disc. The fully automated blood sample preparation procedure only took 35 mins, with a throughput of three parallel units.
The Role of Bifidobacterium in Liver Diseases: A Systematic Review of Next-Generation Sequencing Studies
Authors: Hizo Gabriel Henrique , Rampelotto Pabulo Henrique
Published: December 2023

The physiopathology of liver diseases is complex and can be caused by various factors. Bifidobacterium is a bacterial genus commonly found in the human gut microbiome and has been shown to influence the development of different stages of liver diseases significantly. This study investigated the relationship between the Bifidobacterium genus and liver injury. In this work, we performed a systematic review in major databases using the key terms “Bifidobacterium”, “ALD”, “NAFLD”, “NASH”, “cirrhosis”, and “HCC” to achieve our purpose. In total, 31 articles were selected for analysis. In particular, we focused on studies that used next-generation sequencing (NGS) technologies. The studies focused on assessing Bifidobacterium levels in the diseases and interventional aimed at examining the therapeutic potential of Bifidobacterium in the mentioned conditions. Overall, the abundance of Bifidobacterium was reduced in hepatic pathologies. Low levels of Bifidobacterium were associated with harmful biochemical and physiological parameters, as well as an adverse clinical outcome. However, interventional studies using different drugs and treatments were able to increase the abundance of the genus and improve clinical outcomes. These results strongly support the hypothesis that changes in the abundance of Bifidobacterium significantly influence both the pathophysiology of hepatic diseases and the related clinical outcomes. In addition, our critical assessment of the NGS methods and related statistical analyses employed in each study highlights concerns with the methods used to define the differential abundance of Bifidobacterium, including potential biases and the omission of relevant information.
Oral Antibiotics for Bacteremia and Infective Endocarditis: Current Evidence and Future Perspectives
Authors: Eleftheriotis Gerasimos , Marangos Markos , Lagadinou Maria , Bhagani Sanjay , Assimakopoulos Stelios F.
Published: December 2023

Bacteremia and endocarditis are two clinical syndromes that, for decades, were managed exclusively with parenteral antimicrobials, irrespective of a given patient’s clinical condition, causative pathogen, or its antibiotic susceptibility profile. This clinical approach, however, was based on low-quality data and outdated expert opinions. When a patient’s condition has improved, gastrointestinal absorption is not compromised, and an oral antibiotic regimen reaching adequate serum concentrations is available, a switch to oral antibacterials can be applied. Although available evidence has reduced the timing of the oral switch in bacteremia to three days/until clinical improvement, there are only scarce data regarding less than 10-day intravenous antibiotic therapy in endocarditis. Many standard or studied oral antimicrobial dosages are smaller than the approved doses for parenteral administration, which is a risk factor for treatment failure; in addition, the gastrointestinal barrier may affect drug bioavailability, especially when the causative pathogen has a minimum inhibitory concentration that is close to the susceptibility breakpoint. A considerable number of patients infected by such near-breakpoint strains may not be potential candidates for oral step-down therapy to non-highly bioavailable antibiotics like beta-lactams; different breakpoints should be determined for this setting. This review will focus on summarizing findings about pathogen-specific tailoring of oral step-down therapy for bacteremia and endocarditis, but will also present laboratory and clinical data about antibiotics such as beta-lactams, linezolid, and fosfomycin that should be studied more in order to elucidate their role and optimal dosage in this context.
Impact of Admixtures on Environmental Footprint, Rheological and Mechanical Properties of LC3 Cemented Paste Backfill Systems
Authors: Dhers Sébastien , Guggenberger Rebecca , Freimut Dominik , Fataei Shirin , Schwesig Peter , Martic Zlatko
Published: December 2023

This study investigates the time-dependent rheological behavior of cemented paste backfill (CPB) that contains calcined clay as a binder, particularly with LC3 (Limestone Calcined Clay Cement) compositions, using two different PCEs (Polycarboxylate Ether) superplasticizers. Rheological measurements have been conducted on four different mix designs using the Bingham model to describe the CPB mixtures. Both yield stress and plastic viscosity have been reported, and the impact of the admixture on these parameters has been investigated. Unconfined compressive strength (UCS) was measured over 182 days for all mix designs. Both admixtures showed better workability in all cases, with significantly improved yield stress and plastic viscosity compared to the reference, while showing little to no negative impact on strength over time. This study highlights that both from a binder and an admixture point of view, relevant to the industry, these calcined clay systems are ready to be used in a CPB and could make a significant impact on the sustainability of a mining operation in the near future.
Rationally Designed Novel Phenyloxazoline Synthase Inhibitors: Chemical Synthesis and Biological Evaluation to Accelerate the Discovery of New Antimycobacterial Antibiotics
Authors: Shyam Mousumi , Bhattacharje Gourab , Daniel Chris , Kumar Amrendra , Yadav Pragya , Mukherjee Piyali , Singh Samsher , Das Amit Kumar , Narender Tadigoppula , Singh Amit , Jayaprakash Venkatesan , Bhakta Sanjib
Published: December 2023

The uncontrolled spread of drug-resistant tuberculosis (DR-TB) clinical cases necessitates the urgent discovery of newer chemotypes with novel mechanisms of action. Here, we report the chemical synthesis of rationally designed novel transition-state analogues (TSAs) by targeting the cyclization (Cy) domain of phenyloxazoline synthase (MbtB), a key enzyme of the conditionally essential siderophore biosynthesis pathway. Following bio-assay-guided evaluation of TSA analogues preferentially in iron-deprived and iron-rich media to understand target preferentiality against a panel of pathogenic and non-pathogenic mycobacteria strains, we identified a hit, i.e., TSA-5. Molecular docking, dynamics, and MMPBSA calculations enabled us to comprehend TSA-5’s stable binding at the active site pocket of MbtB_Cy and the results imply that the MbtB_Cy binding pocket has a strong affinity for electron-withdrawing functional groups and contributes to stable polar interactions between enzyme and ligand. Furthermore, enhanced intracellular killing efficacy (8 μg/mL) of TSA-5 against Mycobacterium aurum in infected macrophages is noted in comparison to moderate in vitro antimycobacterial efficacy (64 μg/mL) against M. aurum. TSA-5 also demonstrates whole-cell efflux pump inhibitory activity against Mycobacterium smegmatis. Identification of TSA-5 by focusing on the modular MbtB_Cy domain paves the way for accelerating novel anti-TB antibiotic discoveries.
Chemical Comparison and Identification of Xanthine Oxidase Inhibitors of Dioscoreae Hypoglaucae Rhizoma and Dioscoreae Spongiosae Rhizoma by Chemometric Analysis and Spectrum–Effect Relationship
Authors: Rui Guo , Qin Zhang-Yi , Chang Ya-Qing , Zheng Yu-Guang , Zhang Dan , Yao Li-Min , Guo Long
Published: December 2023

Dioscoreae hypoglaucae Rhizoma (DH) and Dioscoreae spongiosae Rhizoma (DS) are two similar Chinese herbal medicines derived from the Dioscorea family. DH and DS have been used as medicines in China and other Asian countries for a long time, but study on their phytochemicals and bioactive composition is limited. This present study aimed to compare the chemical compositions of DH and DS, and explore the anti-xanthine oxidase components based on chemometric analysis and spectrum–effect relationship. Firstly, an HPLC method was used to establish the chemical fingerprints of DH and DS samples, and nine common peaks were selected. Then, hierarchical clustering analysis, principal component analysis and orthogonal partial least squares discriminant analysis were employed to compare and discriminate DH and DS samples based on the fingerprints data, and four steroidal saponins compounds (protodioscin, protogracillin, dioscin, gracillin) could be chemical markers responsible for the differences between DH and DS. Meanwhile, the anti-xanthine oxidase activities of these two herbal medicines were evaluated by xanthine oxidase inhibitory assay in vitro. Pearson correlation analysis and partial least squares regression analysis were subsequently used to investigate the spectrum–effect relationship between chemical fingerprints and xanthine oxidase inhibitory activities. The results showed that four steroidal saponins, including protodioscin, protogracillin, methyl protodioscin and pseudoprogracillin could be potential anti-xanthine oxidase compounds in DH and DS. Furthermore, the xanthine oxidase inhibitory activities of the four selected inhibitors were validated by anti-xanthine oxidase inhibitory assessment and molecular docking experiments. The present work provided evidence for understanding of the chemical differences and the discovery of the anti-xanthine oxidase constituent of DH and DS, which could be useful for quality evaluation and bioactive components screening of these two herbal medicines.
Therapeutic Potential of Ginsenoside Rb1-PLGA Nanoparticles for Heart Failure Treatment via the ROS/PPARα/PGC1α Pathway
Authors: Du Lixin , Lu Huiling , Wang Ziyan , Liu Chengxin , Xiao Yifei , Guo Zhihua , Li Ya
Published: December 2023

(1) Background: Ginsenoside Rb1-PLGA nanoparticles (GRb1@PLGA@NPs) represent a novel nanotherapeutic system, yet their therapeutic efficacy and underlying mechanisms for treating heart failure (HF) remain unexplored. This study aims to investigate the potential mechanisms underlying the therapeutic effects of GRb1@PLGA@NPs in HF treatment; (2) Methods: The left anterior descending coronary artery ligation was employed to establish a HF model in Sprague-Dawley rats, along with an in vitro oxidative stress model using H9c2 myocardial cells. Following treatment with GRb1@PLGA@NPs, cardiac tissue pathological changes and cell proliferation were observed. Additionally, the serum levels of biomarkers such as NT-proBNP, TNF-α, and IL-1β were measured, along with the expression of the ROS/PPARα/PGC1α pathway; (3) Results: GRb1@PLGA@NPs effectively ameliorated the pathological status of cardiac tissues in HF rats, mitigated oxidative stress-induced myocardial cell damage, elevated SOD and MMP levels, and reduced LDH, MDA, ROS, NT-proBNP, TNF-α, and IL-1β levels. Furthermore, the expression of PPARα and PGC1α proteins was upregulated; (4) Conclusions: GRb1@PLGA@NPs may attenuate myocardial cell injury and treat HF through the ROS/PPARα/PGC1α pathway.
Human Health Risk Assessment of the Photocatalytic Oxidation of BTEX over TiO2/Volcanic Glass
Authors: Smaiyl Madi , Tulebekov Yerzhigit , Nurpeisov Nurbek , Satybaldiyev Bagdat , Snow Daniel D. , Uralbekov Bolat
Published: December 2023

This study demonstrates rapid photocatalytic oxidation of a benzene, toluene, ethylbenzene, and xylene (BTEX) mixture over TiO2/volcanic glass. The assessment of the photocatalytic oxidation of BTEX was conducted under conditions simulating those found in indoor environments affected by aromatic hydrocarbon release. We show, under UV-A intensities of 15 mW/cm2 and an air flow rate of 55 m3/h, that low ppmv levels of BTEX concentrations can be reduced to below detectable levels. Solid-phase microextraction technique was employed to monitor the levels of BTEX in the test chamber throughout the photocatalytic oxidation, lasting approximately 21 h. Destruction of BTEX from the gas phase was observed in the following sequence: o-xylene, ethylbenzene, toluene, and benzene. This study identified sequential degradation of BTEX, in combination with the stringent regulatory level set for benzene, resulted in the air quality hazard indexes (Total Hazard Index and Hazard Quotient) remaining relatively high during the process of photocatalytic oxidation. In the practical application of photocatalytic purification, it is crucial to account for the slower oxidation kinetics of benzene. This is of particular importance due to not only its extremely low exposure limits, but also due to the classification of benzene as a Group 1 carcinogenic compound by the International Agency for Research on Cancer (IARC). Our study underscores the importance of taking regulatory considerations into account when using photocatalytic purification technology.
An Overview of Heterogeneous Catalysts Based on Hypercrosslinked Polystyrene for the Synthesis and Transformation of Platform Chemicals Derived from Biomass
Authors: Manaenkov Oleg , Nikoshvili Linda , Bykov Alexey , Kislitsa Olga , Grigoriev Maxim , Sulman Mikhail , Matveeva Valentina , Kiwi-Minsker Lioubov
Published: December 2023

Platform chemicals, also known as chemical building blocks, are substances that serve as starting materials for the synthesis of various value-added products, which find a wide range of applications. These chemicals are the key ingredients for many fine and specialty chemicals. Most of the transformations of platform chemicals are catalytic processes, which should meet the requirements of sustainable chemistry: to be not toxic for humans, to be safe for the environment, and to allow multiple reuses of catalytic materials. This paper presents an overview of a new class of heterogeneous catalysts based on nanoparticles of catalytically active metals stabilized by a polymer matrix of hypercrosslinked polystyrene (HPS). This polymeric support is characterized by hierarchical porosity (including meso- and macropores along with micropores), which is important both for the formation of metal nanoparticles and for efficient mass transfer of reactants. The influence of key parameters such as the morphology of nanoparticles (bimetallic versus monometallic) and the presence of functional groups in the polymer matrix on the catalytic properties is considered. Emphasis is placed on the use of this class of heterogeneous catalysts for the conversion of plant polysaccharides into polyols (sorbitol, mannitol, and glycols), hydrogenation of levulinic acid, furfural, oxidation of disaccharides, and some other reactions that might be useful for large-scale industrial processes that aim to be sustainable. Some challenges related to the use of HPS-based catalysts are addressed and multiple perspectives are discussed.
N-Methyl- and N-Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host–Guest Recognition
Authors: Kircheva Nikoleta , Petkova Vladislava , Dobrev Stefan , Nikolova Valya , Angelova Silvia , Dudev Todor
Published: December 2023

The family of cucurbiturils (CBs), the unique pumpkin-shaped macrocycles, has received great attention over the past four decades owing to their remarkable recognition properties. They have found diverse applications including biosensing and drug delivery technologies. The cucurbituril complexation of guest molecules can modulate their pKas, improve their solubility in aqueous solution, and reduce the adverse effects of the drugs, as well as enhance the stability and/or enable targeted delivery of the drug molecule. Employing twelve cationic styryl dyes with N-methyl- and N-phenylpiperazine functionality as probes, we attempted to understand the factors that govern the host–guest complexation of such molecules within CB[7] and CB[8] host systems. Various key factors determining the process were recognized, such as the pH and dielectric constant of the medium, the cavity size of the host, the chemical characteristics of the substituents in the guest entity, and the presence/absence of metal cations. The presented results add to our understanding (at the molecular level) of the mechanism of encapsulation of styryl dyes by cucurbiturils, thus shedding new light on various aspects of the intriguing complexation chemistry and the underlying recognition processes.
A Review of Dual-Emission Carbon Dots and Their Applications
Authors: Ma Jing , Sun Lingbo , Gao Feng , Zhang Shiyu , Zhang Yuhan , Wang Yixuan , Zhang Yuecheng , Ma Hongyan
Published: December 2023

Carbon dots (CDs), as a rising star among fluorescent nanomaterials with excellent optical properties and fascinating dual-emission characteristics, have attracted increasing attention in sensing, bio-imaging, drug delivery, and so on. The synthesis of dual-emission CDs (DE-CDs) and the establishment of ratiometric fluorescence sensors can effectively diminish background interference and provide more accurate results than single-emission CDs. Although DE-CDs have generated increased attention in many fields, the review articles about DE-CDs are still insufficient. Therefore, we summarized the latest results and prepared this review. This review first provides an overview of the primary synthesis route and commonly used precursors in DE-CDs synthesis. Then, the photoluminescence mechanism behind the dual-emission phenomenon was discussed. Thirdly, the application of DE-CDs in metal cation detection, food safety analysis, biosensing, cell imaging, and optoelectronic devices has been extensively discussed. Finally, the main challenges and prospects for further development are presented. This review presents the latest research progress of DE-CDs synthesis and its application in ratiometric sensing; hopefully, it can help and encourage researchers to overcome existing challenges and broaden the area of DE-CDs research.
Mild and Efficient One-Step Synthesis of Nitrogen-Doped Multistage Porous Carbon for High-Performance Supercapacitors
Authors: Zhang Tianliang , Li Jun
Published: December 2023

Biomass-derived carbon materials have broad application prospects in energy storage, but still face problems such as complex synthesis paths and the massive use of corrosive activators. In this study, we proposed a mild and efficient pathway to prepare nitrogen-doped porous carbon material (N-YAC) using one-step pyrolysis with solid K2CO3, tobacco straw, and melamine. The optimized material (N-YAC0.5) was not only enriched with nitrogen, but also exhibited a high specific surface area (2367 m2/g) and a reasonable pore size distribution (46.49% mesopores). When utilized in electrodes, N-YAC0.5 exhibited an excellent capacitance performance (338 F/g at 1 A/g) in the three-electrode system, and benefitted from a high mesopore distribution that maintained a capacitance of 85.2% (288 F/g) at high current densities (20 A/g). Furthermore, the composed symmetric capacitor achieved an energy density of 14.78 Wh/kg at a power density of 400 W/kg. In summary, our work provides a novel and eco-friendly approach for converting biomass into high-performance energy-storage materials.
Shade of Innovative Food Processing Techniques: Potential Inducing Factors of Lipid Oxidation
Authors: Chemat Aziadé , Song Mengna , Li Ying , Fabiano-Tixier Anne-Sylvie
Published: December 2023

With increasing environmental awareness and consumer demand for high-quality food products, industries are strongly required for technical innovations. The use of various emerging techniques in food processing indeed brings many economic and environmental benefits compared to conventional processes. However, lipid oxidation induced by some “innovative” processes is often “an inconvenient truth”, which is scarcely mentioned in most studies but should not be ignored for the further improvement and optimization of existing processes. Lipid oxidation poses a risk to consumer health, as a result of the possible ingestion of secondary oxidation products. From this point of view, this review summarizes the advance of lipid oxidation mechanism studies and mainly discloses the shade of innovative food processing concerning lipid degradation. Sections involving a revisit of classic three-stage chain reaction, the advances of polar paradox and cut-off theories, and potential lipid oxidation factors from emerging techniques are described, which might help in developing more robust guidelines to ensure a good practice of these innovative food processing techniques in future.
A Review on Bioactive Anthraquinone and Derivatives as the Regulators for ROS
Authors: Zhao Lihua , Zheng Lin
Published: December 2023

Anthraquinones are bioactive natural products, which are often found in medicinal herbs. These compounds exert antioxidant-related pharmacological actions including neuroprotective effects, anti-inflammation, anticancer, hepatoprotective effects and anti-aging, etc. Considering the benefits from their pharmacological use, recently, there was an upsurge in the development and utilization of anthraquinones as reactive oxygen species (ROS) regulators. In this review, a deep discussion was carried out on their antioxidant activities and the structure-activity relationships. The antioxidant mechanisms and the chemistry behind the antioxidant activities of both natural and synthesized compounds were furtherly explored and demonstrated. Due to the specific chemical activity of ROS, antioxidants are essential for human health. Therefore, the development of reagents that regulate the imbalance between ROS formation and elimination should be more extensive and rational, and the exploration of antioxidant mechanisms of anthraquinones may provide new therapeutic tools and ideas for various diseases mediated by ROS.
Optimization of the Centrifugal Spinning Parameters to Prepare Poly(butylene succinate) Nanofibers Mats for Aerosol Filter Applications
Authors: Pakolpakçıl Ayben , Kılıç Ali , Draczynski Zbigniew
Published: December 2023

Air pollution is becoming a serious issue because it negatively impacts the quality of life. One of the first most useful self-defense approaches against air pollution are face masks. Typically made of non-renewable petroleum-based polymers, these masks are harmful to the environment, and they are mostly disposable. Poly(butylene succinate) (PBS) is regarded as one of the most promising materials because of its exceptional processability and regulated biodegradability in a range of applications. In this regard, nanofiber-based face masks are becoming more and more popular because of their small pores, light weight, and excellent filtration capabilities. Centrifugal spinning (CS) provides an alternative method for producing nanofibers from various materials at high speeds and low costs. This current study aimed to investigate the effect of processing parameters on the resultant PBS fiber morphology. Following that, the usability of PBS nonwoven as a filter media was investigated. The effects of solution concentration, rotating speed, and needle size have been examined using a three-factorial Box–Behnken experimental design. The results revealed that PBS concentration had a substantial influence on fiber diameter, with a minimum fiber diameter of 172 nm attained under optimum production conditions compared to the anticipated values of 166 nm. It has been demonstrated that the desired function and the Box–Behnken design are useful instruments for predicting the process parameters involved in the production of PBS nanofibers. PBS filters can achieve an excellent efficiency of more than 98% with a pressure drop of 238 Pa at a flow rate of 85 L/min. The disposable PBS filter media was able to return to nature after use via hydrolysis processes. The speed and cost-effectiveness of the CS process, as well as the environmentally benign characteristics of the PBS polymer, may all contribute considerably to the development of new-age filters.