bluuebunny/crossref_metadata_2025_split huggingface dataset:
Heparosan biosynthesis in recombinant Bacillus megaterium: Influence of N‐acetylglucosamine supplementation and kinetic modeling
Authors: Nehru Ganesh , Balakrishnan Rengesh , Swaminathan Nivedhitha , Tadi Subbi Rami Reddy , Sivaprakasam Senthilkumar 
Published: July 2024

AbstractHeparosan, an unsulfated polysaccharide, plays a pivotal role as a primary precursor in the biosynthesis of heparin—an influential anticoagulant with diverse therapeutic applications. To enhance heparosan production, the utilization of metabolic engineering in nonpathogenic microbial strains is emerging as a secure and promising strategy. In the investigation of heparosan production by recombinant Bacillus megaterium, a kinetic modeling approach was employed to explore the impact of initial substrate concentration and the supplementation of precursor sugars. The adapted logistic model was utilized to thoroughly analyze three vital parameters: the B. megaterium growth dynamics, sucrose utilization, and heparosan formation. It was noted that at an initial sucrose concentration of 30 g L−1 (S1), it caused an inhibitory effect on both cell growth and substrate utilization. Intriguingly, the inclusion of N‐acetylglucosamine (S2) resulted in a significant 1.6‐fold enhancement in heparosan concentration. In addressing the complexities of the dual substrate system involving S1 and S2, a multi‐substrate kinetic models, specifically the double Andrew's model was employed. This approach not only delved into the intricacies of dual substrate kinetics but also effectively described the relationships among the primary state variables. Consequently, these models not only provide a nuanced understanding of the system's behavior but also serve as a roadmap for optimizing the design and management of the heparosan production method.
Can Prussian Blue Analogues be Holy Grail for Advancing Post‐Lithium Batteries?
Authors: Palaganas Mecaelah S. , Garcia Jayson S. , Sanglay Giancarlo Dominador D. , Sapanta Lora Monique E. , Limjuco Lawrence A. , Ocon Joey D. 
Published: July 2024

AbstractThe recent classification of lithium as a critical raw material surged the research and development (R&D) of post‐lithium batteries (PLBs). The larger cation charge carriers of these PLBs consequently entailed extensive materials R&D for battery components, especially cathode. Prussian Blue (PB) and its analogues (PBAs) have emerged as promising cathode materials for PLBs due to their desirable characteristics, including a three‐dimensional open framework structure that facilitates fast ion diffusion for both monovalent (Li+, Na+, K+) and multivalent (Mg2+, Ca2+, Zn2+, Al3+) ions, stable framework structures, electrochemical tunability, availability of widely used precursors, and ease of synthesis. Our comprehensive review reveals that several challenges are yet to be addressed in employing PBAs as cathode materials for PLBs, viz., vacancies, crystal water, side reactions, and conductivity issues. This review paper provides an exhaustive survey of material development, including the mitigation strategies of the challenges in employing PBAs as cathode materials for advancing PLBs (i. e., sodium‐ion batteries (SIBs), potassium‐ion batteries (KIBs), magnesium‐ion batteries (MIBs), calcium‐ion batteries (CIBs), zinc‐ion batteries (ZIBs), aluminum‐ion batteries (AIBs)) towards commercialization.
Indications and added value of videourodynamics in men with spinal cord injury
Authors: Françot Marc , Lefevre Chloé , Reiss Bénédicte , Lefort Marc , Karam Georges , Rigaud Jerome , Le Normand Loic , Ruffion Alain , Perrouin‐Verbe Brigitte , Perrouin‐Verbe Marie‐Aimee 
Published: July 2024

AbstractPurposeThe primary aim of this study was to evaluate the indications and additional information provided by videourodynamic study (VUDS) over urodynamic studies (UDS) in men with spinal cord injury (SCI) and neurogenic lower urinary tract dysfunction (NLUTD). The secondary aim was to determine the added value of VUDS and its impact on bladder management.Materials and MethodsSingle‐centre retrospective study of all men with SCI who underwent VUDS between 2011 and 2021. Participant characteristics, clinical data and indications for UDS and VUDS as well as bladder management were recorded. The added value of VUDS was defined as additional information not provided by standard UDS that impacted on bladder management (choice of voiding mode, surgical indication or type of surgery).ResultsEighty‐eight men with a median age of 52 years were included. In 20 men who were unable to perform self‐catheterisation, the VUDS clarified the nature and extent of the obstruction and enabled targeted surgery to achieve reflex bladder emptying in all of them. VUDS also clarified the type and level of obstruction in 28 patients, enabling targeted surgery in 24. In 11 men, VUDS was performed as part of the preoperative assessment for a Brindley procedure or after this operation if a complication occurred during follow‐up to confirm the need for further surgery or to target surgical revision. Overall, VUDS had added value in 59 patients (67%).ConclusionsVUDS had added value over UDS in specific situations; the additional information provided impacted on bladder management in men with SCI and NLUTD.
Partial atrioventricular canal defect and aortic coarctation associated with variants in GDF1 and NOTCH1 genes: A case report
Authors: Putotto Carolina , Masci Marco , Magliozzi Monia , Novelli Antonio , Marino Bruno , Digilio Maria Cristina , Toscano Alessandra 
Published: July 2024

AbstractBackgroundA peculiar subgroup of patients with partial or complete atrioventricular canal defect exhibits a spectrum of left‐sided obstructions including right ventricular dominance and aortic coarctation. The association of atrioventricular canal defect with left‐sided obstructions is found in several genetic syndromes; however, the molecular basis of nonsyndromic atrioventricular canal defect with aortic coarctation is still poorly understood. Although some candidate genes for nonsyndromic atrioventricular canal defect are known, a complex oligogenic inheritance determined in some cases by the co‐occurrence of multiple variants has also been hypothesized.Case ReportWe describe a nonsyndromic infant with mesocardia with viscero‐atrial situs solitus, partial atrioventricular canal defect, mild right ventricular dominance, and coarctation of the aorta. Next generation sequencing genetic testing revealed variants in two genes, GDF1 and NOTCH1, previously reported in association with atrioventricular canal defect and left‐sided obstructive lesions, respectively.ConclusionThe present report could support the hypothesis that the co‐occurrence of cumulative variants may be considered as genetic predisposing risk factor for specific congenital heart defects.
Optical discrimination of pathological red blood cells
Authors: Vergari Michele , Niccolini Benedetta , Pitocco Dario , Rizzi Alessandro , Ciasca Gabriele , de Spirito Marco , Gavioli Luca 
Published: July 2024

AbstractFast diagnostic methods are crucial to reduce the burden on healthcare systems. Currently, detection of diabetes complications such as neuropathy requires time‐consuming approaches to observe the correlated red blood cells (RBCs) morphological changes. To tackle this issue, an optical analysis of RBCs in air was conducted in the 250–2500 nm range. The distinct oscillations present in the scattered and direct transmittance spectra have been analyzed with both Mie theory and anomalous diffraction approximation. The results provide information about the swelling at the ends of RBCs and directly relate the optical data to RBCs morphology and deformability. Both models agree on a reduction in the size and deformability of RBCs in diabetic patients, thus opening the way to diabetes diagnosis and disease progression assessment.
Plasma metabolites and inflammatory proteins profiling predict outcome of Fufang Duzhong Jiangu granules treating Kashin–Beck disease
Authors: Deng Xingxing , Niu Hui , Zhang Qian , Wen Jinfeng , Zhao Yijun , Naren Gaowa , Liu Huan , Guo Xiong , Zhang Feng , Wu Cuiyan 
Published: July 2024

AbstractTo investigate predictive biomarkers that could be used to identify patients’ response to treatment, plasma metabolomics and proteomics analyses were performed in Kashin–Beck disease (KBD) patients treated with Fufang Duzhong Jiangu Granules (FDJG). Plasma was collected from 12 KBD patients before treatment and 1 month after FDJG treatment. LC–MS and olink proteomics were employed for obtaining plasma metabolomics profiling and inflammatory protein profiles. Patients were classified into responders and non‐responders based on drug efficacy. Enrichment analyses of differential metabolites and proteins of the responders at baseline and after treatment were conducted to study the mechanism of drug action. Differential metabolites and proteins between the two groups were screened as biomarkers to predict the drug efficacy. The receiver operating characteristic curve was used to evaluate the prediction accuracy of biomarkers. The changes in metabolites and inflammatory proteins in responders after treatment reflected the mechanism of FDJG treatment for KBD, which may act on glycerophospholipid metabolism, d‐glutamine and d‐glutamate metabolism, nitrogen metabolism and NF‐kappa B signaling pathway. Three metabolites were identified as potential predictors: N‐undecanoylglycine, β‐aminopropionitrile and PC [18:3(6Z,9Z,12Z)/20:4(8Z,11Z,14Z,17Z)]. For inflammatory protein, interleukin‐8 was identified as a predictive biomarker to detect responders. Combined use of these four biomarkers had high predictive ability (area under the curve = 0.972).
Exploring coopetition and value‐based networks in business models for sustainability—A case study of the specialty coffee industry in Colombia
Authors: Rodríguez Angélica , Alcalde‐Heras Henar , Iñigo Edurne A. 
Published: July 2024

AbstractDrawing on coopetition‐based and values‐based business model networks, we explore competitors' coevolutionary interactions to drive sustainability. Using a specialty coffee industry case study in Colombia, we propose an analytical framework for collaboration, leveraging resources to transform neglected industry values. We apply the congruence analysis method to compare theoretical expectations with empirical findings, providing rigorous evidence. Our study reveals that developing values‐based networks through coopetition allows collective problem resolution and offers new opportunities for value creation. This research contributes to coopetition and values‐based network theories, emphasizing practical implications for sustainability‐focused business models. By highlighting competitor collaboration intricacies, our study enhances our understanding of the dynamics of local markets.
Salvage endoscopic nasopharyngectomy in locally recurrent carcinoma adjacent to the internal carotid artery—A case report
Authors: Karamitsou Paraskevi , Poutoglidis Alexandros , Karamitsou Aikaterini , Papargyriou Georgia‐Evangelia , Leventi Argyro , Georgalas Christos 
Published: July 2024

Key Clinical MessageIn cases adjacent to critical structures, such as the internal carotid artery, surgeons should meticulously explore the feasibility of surgery before declaring the neoplasm unresectable.AbstractSalvage treatment for locally recurrent carcinoma of the nasopharynx constitutes a unique challenge. Surgery remains the gold standard treatment modality. Endoscopic nasopharyngectomy is considered a safe and feasible procedure overcoming the morbidities of an open surgery. Tumor adjacency to the internal carotid artery (ICA) is not an absolute contradiction for the endoscopic approach. Even in cases adjacent to critical structures, surgeons should meticulously explore the feasibility of surgery before declaring the neoplasm unresectable. We present the case of a 56‐year‐old male with locally recurrent adenoid cystic carcinoma (AdCC) of the nasopharynx adjacent to the ICA treated with endoscopic nasopharyngectomy.
Gastrokine 1 transferred by gastric cancer exosomes inhibits growth and invasion of gastric cancer cells in vitro and in vivo
Authors: Tian Lingling , Tang Li , Li Xu , Huang Liuye 
Published: July 2024

AbstractIn gastric cancer, gastrokine 1 (GKN1) is a potential theragnostic marker while the related mechanisms remain elusive. Exosomes mediate intercellular communications via transferring various molecules, yet there are limited research studies on the specific cargos of gastric cancer exosomes and the associated mechanisms in this disease. In the present study, AGS and N87‐C cells were transfected with an overexpressed GKN1 plasmid, followed by extraction of exosomes. The study utilized gastric cancer cell lines and a xenograft mouse model to investigate the functional significance of exosomal GKN1. Cell proliferation, metastasis, and apoptosis were assessed through CCK‐8, Transwell, and flow cytometry assays, respectively. The study further explored the mechanism of exosomal GKN1 and its interaction with the PI3K/AKT/mTOR signaling pathways, including immunofluorescence and western blot analyses. Exosomal GKN1 was observed to suppress cell proliferation and invasion while enhancing apoptosis. This effect was attributed to the modulation of key proteins involved in cellular processes, including Ki‐67, MMP‐9, Bcl‐2, Bax, caspase‐3, and caspase‐9, ultimately impacting the PI3K/AKT/mTOR signaling pathway. The findings suggest that exosomal GKN1 exerts inhibitory effects on gastric cancer cell growth and invasion through the regulation of the PI3K/AKT/mTOR signaling cascade, both in experimental cell cultures and animal models.
Nitrogen, Fluorine, and Phosphorus Tri‐Doped Porous Carbon with High Electrical Conductivity as an Excellent Metal‐Free Electrocatalyst for Oxygen Reduction Reaction
Authors: Takada Ryuji , Narimatsu Kotaro , Taniguchi Yurika , Yang Xinran , Miyake Koji , Uchida Yoshiaki , Nishiyama Norikazu 
Published: July 2024

AbstractToday's oxygen reduction reaction (ORR) depends on the precious metal Pt‐based catalysts, limiting the large commercialization of promising energy conversion technologies such as proton exchange membrane fuel cells (PEMFCs) and metal‐air batteries. Therefore, the rational design of low‐cost and highly efficient electrocatalysts for ORR is strongly desired. Herein, we report a porous carbon doped with nitrogen, fluorine, and phosphorus (N, F, P tri‐doped carbon) prepared via only a heating process using low‐cost glycine, ammonium fluoride, and phytic acid as precursors. X‐ray photoelectron spectroscopy (XPS) analysis revealed the existence of pyridinic‐N and the co‐existence of graphitic‐N and oxidized graphitic‐P, which can be active sites, with semi‐ionic C−F bonds highly boosting ORR activity. Remarkably, the resultant N, F, P tri‐doped carbon exhibited outstanding activity for the ORR with an onset potential comparable to that of commercial 20 wt % Pt/C catalyst, the half‐wave potential superior to that of the Pt/C catalyst, and the electron transfer number close to 4.
Exploiting Archaeal/Thermostable Enzymes in Synthetic Chemistry: Back to the Future?
Authors: Kudalkar Gaurav P. , Tiwari Virendra K. , Berkowitz David B. 
Published: July 2024

AbstractBillions of years of evolution have led to the selection of (hyper)thermophiles capable of flourishing at elevated temperatures. The corresponding native (hyper)thermophilic enzymes retain their tertiary and quaternary structures at near‐boiling water temperatures and naturally retain catalytically competent conformational dynamics under these conditions. And yet, while hyper/thermophilic enzymes offer special opportunities in biocatalysis and in hybrid bio/chemocatalytic approaches to modern synthesis in both academia and industry, these enzymes remain underexplored in biocatalysis. Among the strategic advantages that can be leveraged in running biocatalytic transformations at higher temperatures are included more favorable kinetics, removal of volatile byproducts to drive reactions forward, improved substrate solubility and product separation, and accelerated stereodynamics for dynamic kinetic resolutions. These topics are discussed and illustrated with contemporary examples of note, in sections organized by stratagem. Finally, the reader is alerted in particular to archaeal enzymes that have proven useful in non‐natural synthetic chemistry ventures, and at the same time is referred to a rich area of archaea whose genomes have been sequenced but whose enzymatic activities of interest have not yet been mined. Though hyperthermophilic archaea are among the most ancient of organisms, their enzymes may hold the key to many future innovations in biocatalytic chemistry–perhaps we really do need to go ‘back to the future’.
Ambient Semi‐Hydrogenation of Terminal Alkynes with NaBH4 Catalyzed by Palladium Nanowires
Authors: Wang Ying , Ji Mengyuan , Wu Guohao , Wang Yawen , Zhang Yanhua 
Published: July 2024

AbstractThe semi‐hydrogenation of terminal alkynes is achieved with sodium borohydride (NaBH4) as the reductant and palladium nanowires (PdNWs) as the catalysts under ambient conditions. The reaction proceeds smoothly in the presence of only 0.32 mol % of PdNWs, giving the hydrogenated products with up to 98 % overall yields, in which 97 % are semi‐hydrogenated products. Under the optimal reaction conditions, both aromatic and aliphatic terminal alkynes have been successfully converted to the corresponding olefins with high efficiency and good selectivity. This method promotes the hydrogenation of terminal alkynes under mild conditions and opens up a window for the application of metal nanowires in organic syntheses.
Stability and Surface Functionalization of Plasmonic Group 4 Transition Metal Nitrides
Authors: Shea Dreenan , Karaballi Reem A. , Jee Samantha , Dasog Mita 
Published: July 2024

AbstractPlasmonic transition metal nitrides (TMNs) have emerged as a low‐cost and thermally and chemically robust alternatives to noble metals. While their superior thermal properties have been established, their chemical properties on the nanoscale haven't been as well investigated. Herein, the oxidative stability over time under ambient conditions and colloidal stability as function of pH was explored for plasmonic TiN, ZrN, and HfN nanoparticles. It was discovered that the TMN nanoparticles made via solid‐state method had a narrow pH stability range between 2–3. Under highly acidic conditions, the particles underwent dissolution and at pH ≥4, they aggregate and precipitate from the solution. Additionally, TiN nanoparticles had poor oxidative stability and oxidized to TiO2 after ~40 days. 3‐Aminopropyltriethoxysilane (APTES) and dimethylsilane coated TMNs were synthesized to yield water and organic solvent dispersible particles, respectively. These functionalized colloidal suspensions showed enhanced oxidative stability over 60 days and the APTES coating widened the pH stability window of TMNs to include physiological pH. This study shows that surface functionalization using M−O−Si linkages (where M=Ti, Zr, or Hf) can greatly enhance the stability, dispersibility and therefore applicability of plasmonic TMN nanoparticles.
Photostability of Phenoxazine Derivatives
Authors: Goll Felix D. , Welscher Philipp J. , Bodenmüller Franz , Blinder Rémi , Jelezko Fedor , Ziener Ulrich 
Published: July 2024

AbstractPhenoxazine is a commonly used molecular building block, for example in optoelectronic applications and pharmaceuticals. However, it is highly susceptible to rapid photodegradation, especially in halogenated solvents. In the present study, we identify the degradation products in both halogenated and non‐halogenated solvents by UV/Vis absorption, NMR spectroscopy and mass spectrometry. We also propose a substitution strategy aimed at effectively suppressing the high photoreactivity. Kinetic studies show that the quantum yield of photodegradation φ differs by a factor of more than 1000 between trisubstituted derivatives and N‐substituted phenoxazine.
Computational Design of Bidentate Hypervalent Iodine Catalysts in Halogen Bond‐Mediated Organocatalysis
Authors: O'Brien James , Melnyk Nika , Lee Rico Shing , James Michael , Trujillo Cristina 
Published: July 2024

AbstractIn recent years, halogen bond‐based organocatalysis has garnered significant attention as an alternative to hydrogen‐based catalysis, capturing considerable interest within the scientific community. This transition has witnessed the evolution of catalytic scaffolds from monodentate to bidentate architectures, and from monovalent to hypervalent species. In this DFT‐based study, we explored a bidentate hypervalent iodine(III)‐based system that has already undergone experimental validation. Additionally, we explore various functionalisations (‐CF3, ‐CH3, ‐tBu, ‐OH, ‐OMe, ‐NO2, ‐CN) and scaffold modifications, such as sulfur oxidation, theoretically proposed for an indole‐based Michael addition. The investigated systems favour bidentate O‐type binding, underlining the importance of ligand coordination in catalytic activity. Electron‐deficient scaffolds exhibited stronger binding and lower activation energies, indicating the pivotal role of electronic properties for σ‐hole‐based catalysis. Of these groups, Lewis‐base‐like moieties formed stabilising intramolecular interactions with hypervalent iodines when in the ortho‐position. Furthermore, inductive electron withdrawal was deemed more effective than mesomeric withdrawal in enhancing catalytic efficacy for these systems. Lastly, increasing sulfur oxidation was theoretically proven to improve catalytic activity significantly.
Metal‐Organic Frameworks for Enhanced Hydrogen Generation from Syngas: A Density Functional Theory Approach
Authors: Gopalsamy Karuppasamy , Singh Chandrodai Pratap , Krishnamurty Sailaja , Babarao Ravichandar 
Published: July 2024

AbstractAlthough methane poses environmental concerns, it is employed in hydrogen production processes such as steam‐methane reforming (SMR), which has an issue of by‐products released. Initiatives are being pursued to address CO and CO2 emissions using carbon capture methods, with the goal of minimizing environmental harm while improving pure hydrogen generation from syngas. In this study, porous coordination network (PCN‐250) has been studied for its selective adsorption property towards CO, CO2 and H2O as syngas mixture to obtain pure hydrogen. For this purpose, the trimetallic cluster node Fe2M (where Fe2 represents the 3+ oxidation state and M is Cr(II), Mn(II), Fe(II), Co(II), Ni(II), and Zn(II)) has been considered. Fe(III) in combination with metal atoms like Cr(II), Co(II), or Ni(II) has been found to exhibit enhanced adsorption properties towards CO, CO2 and H2O. The molecule with the strongest interaction was found to be H2O over Fe(III)2Zn(II) cluster and weakest interaction was found between H2 and Fe(III)2Ni(II). Charge transfer, natural bond orbital (NBO) and spin density analyses reveal the electronic structural properties of this combination, leading to enhanced adsorption of CO and CO2.