bluuebunny/crossref_metadata_2025_split huggingface dataset:
Screening of in Vitro Inhibition of Lactoperoxidase Enzyme by Methyl Benzoate Derivatives with Molecular Docking Studies
Authors: Abul Nurgül , Gerni Serpil , Korkmaz Işıl Nihan , Demir Yeliz , Özdemir Hasan , Gülçin İlhami 
Published: July 2023

AbstractLactoperoxidase enzyme (LPO) is secreted from salivary, mammary, and other mucosal glands including the bronchi, lungs, and nose, which had functions as a natural and the first line of defense towards viruses and bacteria. In this study, methyl benzoates were examined in LPO enzyme activity. Methyl benzoates are used as precursors in the synthesis of aminobenzohydrazides used as LPO inhibitors. For this purpose, LPO was purified in a single step using sepharose‐4B‐l‐tyrosine‐sulfanilamide affinity gel chromatography with a yield of 9.91 % from cow milk. Also, some inhibition parameters including the half maximal inhibitory concentration (IC50) value and an inhibition constant (Ki) values of methyl benzoates were determined. These compounds inhibited LPO with Ki values ranging from 0.033±0.004 to 1540.011±460.020 μM. Compound 1 a (methyl 2‐amino‐3‐bromobenzoate) showed the best inhibition (Ki=0.033±0.004 μM). The most potent inhibitor (1 a) showed with a docking score of −3.36 kcal/mol and an MM‐GBSA value of −25.05 kcal/mol, of these methyl benzoate derivatives (1 a–16 a) series are established H‐bond within the binding cavity with residues Asp108 (distance of 1.79 Å), Ala114 (distance of 2.64 Å), and His351 (distance of 2.12 Å).
Hepatic segmental arterial mediolysis: A case report and brief literature review
Authors: Pokharel Ashbina , Karageorgiou Ioannis , Shah Sangam , Bhattarai Madhur , Acharya Indira , Bateman Judith 
Published: July 2023

Key Clinical messageWhen evaluating patients with abdominal pain, it is important to consider SAM in the differential diagnosis, along with vasculitis, fibromuscular dysplasia (FMD), atherosclerosis, mycotic aneurysms, and cystic medial degeneration.AbstractSegmental arterial mediolysis (SAM) is a rare arteriopathy which is an under‐recognized and commonly missed diagnosis of abdominal pain. We report a case of a 58‐year‐old female who presented with abdominal pain and was misdiagnosed with a urinary tract infection. The diagnosis was made with CTA and managed with embolization. Despite appropriate intervention and close hospital monitoring, further complications were inevitable. We conclude that though literature has shown better prognosis and even complete resolution after medical and/or surgical intervention, close follow up and monitoring is needed to avoid unexpected complications.
Ultra‐Microporous and Stable MOFs with Zero‐Linker Ligands for Gas Capture and Separation
Authors: Chan Shook Pui , Zhang Yugen 
Published: July 2023

AbstractZero‐linker ligands have maximized the size coordination efficiency of the metal ions in MOF framework which is important in constructing ultra‐microporous MOFs with high stability and density, a bridge between zeolites and traditional MOFs. This article highlighted several recently developed ultra‐microporous MOFs with zero‐linker ligands for gas capture and separation.
E‐64c‐Hydrazide Based Cathepsin C Inhibitors: Optimizing the Interactions with the S1’‐S2’ Area
Authors: Tromsdorf Nora , Ullrich Fabian T. H. , Rethmeier Markus , Sommerhoff Christian P. , Schaschke Norbert 
Published: July 2023

AbstractThe zymogens of the neutrophil serine proteases elastase, proteinase 3, and cathepsin G are converted proteolytically into their pro‐inflammatory active forms by the action of cathepsin C. The inhibition of this cysteine protease therefore is an interesting therapeutic approach for the treatment of inflammatory disorders with a high neutrophil burden such as COPD. Based on E‐64c‐hydrazide as lead structure, we have recently developed a covalently acting cathepsin C inhibitor using a n‐butyl residue attached at the amine nitrogen of the hydrazide moiety to efficiently address the deep hydrophobic S2 pocket. To further optimize the affinity and selectivity profile of this inhibitor, the S1’‐S2’ area was now investigated by a combinatorial approach, showing that Nle‐tryptamide is a ligand superior to the initially used Leu‐isoamylamide. Using the neutrophil precursor line U937 as a cell culture model, this optimized inhibitor blocks the intracellular cathepsin C activity and thereby suppresses the activation of neutrophil elastase.
A Complex Reaction Network Model for Spontaneous Mirror Symmetry Breaking in Viedma Deracemizations
Authors: Noble‐Terán María E. , Cruz José‐Manuel , Cruz‐Rosas Hugo I. , Buhse Thomas , Micheau Jean‐Claude 
Published: July 2023

AbstractAttrition‐enhanced chiral symmetry breaking in crystals, known as Viedma deracemization, is a promising method for converting racemic solid phases into enantiomerically pure ones under non‐equilibrium conditions. However, many aspects of this process remain unclear. In this study, we present a new investigation into Viedma deracemization using a comprehensive kinetic rate equation continuous model based on classical primary nucleation theory, crystal growth, and Ostwald ripening. Our approach employs a fully microreversible kinetic scheme with a size‐dependent solubility following the Gibbs–Thomson rule. To validate our model, we use data from a real NaClO3 deracemization experiment. After parametrization, the model shows spontaneous mirror symmetry breaking (SMSB) under grinding. Additionally, we identify a bifurcation scenario with a lower and upper limit of the grinding intensity that leads to deracemization, including a minimum deracemization time within this window. Furthermore, this model uncovers that SMSB is caused by multiple instances of concealed high‐order autocatalysis. Our findings provide new insights into attrition‐enhanced deracemization and its potential applications in chiral molecule synthesis and understanding biological homochirality.
Isolation and Micromass Culturing of Primary Chicken Chondroprogenitor Cells for Cartilage Regeneration
Authors: Takács Roland , Juhász Tamás , Katona Éva , Somogyi Csilla , Vágó Judit , Hajdú Tibor , Barna Krisztina Bíróné , Nagy Péter , Zákány Róza , Matta Csaba 
Published: July 2023

AbstractMuch of the skeletal system develops by endochondral ossification, a process that takes place in early fetal life. This makes the early stages of chondrogenesis, i.e., when chondroprogenitor mesenchymal cells differentiate to chondroblasts, challenging to study in vivo. In vitro methods for the study of chondrogenic differentiation have been available for some time. There is currently high interest in developing fine‐tuned methodology that would allow chondrogenic cells to rebuild articular cartilage and restore joint functionality. The micromass culture system that relies on embryonic limb bud‐derived chondroprogenitor cells is a popular method for the study of the signaling pathways that control the formation and maturation of cartilage. In this protocol, we describe a technique fine‐tuned in our laboratory for culturing limb bud‐derived mesenchymal cells from early‐stage chick embryos in high density (Basic Protocol 1). We also provide a fine‐tuned method for high‐efficiency transient transfection of cells before plating using electroporation (Basic Protocol 2). In addition, protocols for histochemical detection of cartilage extracellular matrix using dimethyl methylene blue, Alcian blue, and safranin O are also provided (Basic Protocol 3 and Alternate Protocols 1 and 2, respectively). Finally, a step‐by‐step guide on a cell viability/proliferation assay using MTT reagent is also described (Basic Protocol 4). © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Micromass culture of chick embryonic limb bud‐derived cellsBasic Protocol 2: Transfection of cells with siRNA constructs using electroporation prior to micromass culturingBasic Protocol 3: Qualitative and quantitative assessment of cartilage matrix production using dimethyl methylene blue staining and image analysisAlternate Protocol 1: Qualitative assessment of cartilage matrix production using Alcian blue stainingAlternate Protocol 2: Qualitative assessment of cartilage matrix production using safranin O stainingBasic Protocol 4: Measurement of mitochondrial activity with the MTT assay
Risk from a top predator and forest structure influence scavenging by smaller carnivores
Authors: Jensen Alex J. , Saldo Elizabeth A. , Chapman Zoey G. , Butfiloski Joseph W. , Jachowski David S. 
Published: July 2023

AbstractLarge carcasses often attract multiple carnivore species, so subordinate carnivores must weigh the reward of a profitable meal with the risk of being attacked by dominant carnivores. These risk–reward trade‐offs are likely influenced by a variety of factors, including scale‐dependent risk from dominant carnivores (e.g., short‐ vs. long‐term risk) and the amount of carcass remaining. In the southeastern United States, human hunters provision a large amount of white‐tailed deer carrion, which appears to be an important food source for coyotes (a novel top predator), but we know little about how coyotes influence the scavenging behavior of smaller carnivores. In this study, we evaluated the relative importance of risk from coyotes, vulture activity, forest structure, and remaining food on bobcat, gray fox, raccoon, and opossum scavenging by deploying 71 deer carcasses within a managed forest in South Carolina during January 2020 and 2021. We found that coyotes only had direct effects on bobcat behavior, suggesting that competition for carcasses was greatest between these two species. However, the relative importance of long‐ versus short‐term risk from coyotes was dependent on the stage in the scavenging process. Effects from forest structure were also stage‐dependent, where tree density and age were related to carcass discovery for bobcats and raccoons, while minimal understory cover facilitated bobcat, gray fox, and opossum scavenging, despite short‐term risk from coyotes. Vulture activity appeared to serve as a cue for gray foxes to discover carcasses. Ultimately, we found that risk from coyotes had species‐specific and context‐dependent effects on smaller carnivore scavenging. This represents some of the first direct evidence of how coyotes alter smaller carnivore behavior in a region where coyotes are a novel top predator. However, forest structure (particularly understory cover) seemed to mediate risk from coyotes, highlighting how habitat can influence predator–predator interactions. Future research should also investigate these interactions during other times of the year and try to quantify how human‐provisioned carcasses influence populations and communities.
Report on current status of mangrove forests in India
Authors: Teja Kambhampati , Krishna Chinta Venkata Murali , Laskar Nirban , Harshith Kanumuri 
Published: July 2023

AbstractThere are positive effects on climate, water availability, and temperature that may be attributed to the presence of mangrove forests. In addition, mangroves provide natural infrastructure and protection to human communities that are located nearby by preventing erosion and absorbing the effects of storm surges caused by large weather events such as hurricanes. Regrettably, the disappearance of mangroves harms the ecology and the environment's viability. Using secondary sources and a descriptive approach to study, this article investigates the impact that the destruction of mangrove forests in India has had on the surrounding ecosystem. The research findings indicate that India's most significant contributors to environmental destruction are development activities and other reasons. Deforestation may lead to many negative outcomes, including changes in climate, a reduction in biodiversity, the destruction of habitat, and armed conflict.
How students perceive natural and human‐made risks on the island of Madeira (Portugal)
Authors: Martins Bruno , Nunes Adélia , Sousa Miguel , Hermenegildo Carlos 
Published: July 2023

AbstractIn this study the spatial perceptions of students about the likelihood of natural and environmental risks were examined, considering both mainland Portugal and island of Madeira. It intends to understand how students perceived the risks, taking into account the causal attributions, future tendency, and the support from public entities, as well as the willingness of attitudinal changes with respect to mitigating and reducing risks. The results suggest that students have a relatively low perception of analysed risks, considering the risk of forest fires, heatwaves, air and water pollution, and floods the most likely to occur, mainly as a consequence of climate change intensification. Gender proved to be the variable with the greatest influence on perception, particularly in terms of risk occurrence and personal perception of risk. These results could be important for the improvement of strategies and resources to be applied in the educational context in order to reduce disaster risk and strengthen the resilience of the community at large.
Powers of Hamiltonian cycles in randomly augmented Dirac graphs—The complete collection
Authors: Antoniuk Sylwia , Dudek Andrzej , Ruciński Andrzej 
Published: July 2023

AbstractWe study the powers of Hamiltonian cycles in randomly augmented Dirac graphs, that is, ‐vertex graphs with minimum degree at least to which some random edges are added. For any Dirac graph and every integer , we accurately estimate the threshold probability for the event that the random augmentation contains the ‐th power of a Hamiltonian cycle.
On asymptotic packing of convex geometric and ordered graphs
Authors: Nie Jiaxi , Surya Erlang , Zeng Ji 
Published: July 2023

AbstractA convex geometric graph is said to be packable if there exist edge‐disjoint copies of in the complete convex geometric graph covering all but edges. We prove that every convex geometric graph with cyclic chromatic number at most 4 is packable. With a similar definition of packability for ordered graphs, we prove that every ordered graph with interval chromatic number at most 3 is packable. Arguments based on the average length of edges imply these results are the best possible. We also identify a class of convex geometric graphs that are packable due to having many “long” edges.
Resting‐State fMRI: Emerging Concepts for Future Clinical Application
Authors: Amemiya Shiori , Takao Hidemasa , Abe Osamu 
Published: July 2023

Resting‐state functional magnetic resonance imaging (rsfMRI) has been developed as a method of investigating spontaneous neural activity. Based on its low‐frequency signal synchronization, rsfMRI has made it possible to identify multiple macroscopic structures termed resting‐state networks (RSNs) on a single scan of less than 10 minutes. It is easy to implement even in clinical practice, in which assigning tasks to patients can be challenging. These advantages have accelerated the adoption and growth of rsfMRI. Recently, studies on the global rsfMRI signal have attracted increasing attention. Because it primarily arises from physiological events, less attention has hitherto been paid to the global signal than to the local network (i.e., RSN) component. However, the global signal is not a mere nuisance or a subsidiary component. On the contrary, it is quantitatively the dominant component that accounts for most of the variance in the rsfMRI signal throughout the brain and provides rich information on local hemodynamics that can serve as an individual‐level diagnostic biomarker. Moreover, spatiotemporal analyses of the global signal have revealed that it is closely and fundamentally associated with the organization of RSNs, thus challenging the basic assumptions made in conventional rsfMRI analyses and views on RSNs. This review introduces new concepts emerging from rsfMRI spatiotemporal analyses focusing on the global signal and discusses how they may contribute to future clinical medicine.Evidence Level5Technical EfficacyStage 1
Is liquid nitrogen recycled bone and vascular fibula combination the biological reconstruction of choice in lower extremity long bone tumor‐related defects?
Authors: Özger Harzem , Alpan Bugra , Eralp Levent , Valiyev Natig , Sungur Mustafa , Aycan Osman Emre , Salduz Ahmet 
Published: July 2023

AbstractIntroductionCombination techniques, which encompass the combined use of vascularized bone grafts with massive allografts or autografts (recycled bone grafts), are especially important in the biological reconstruction of tumor‐related lower extremity long bone defects. Liquid nitrogen recycled bone (frozen autograft) and free vascular fibula graft (FVFG) combination, which was coined as the “frozen hotdog (FH)” method by the authors, has not been as widely used nor its outcomes reported for significantly sized patient groups. This study aims to provide an answer to whether FH is a safe and effective reconstructive tool for limb salvage in malignant tumors of the lower extremity regarding radiological, functional, and oncological outcomes.Patients and MethodsSixty‐six (male/female: 33/33) patients, who underwent FH reconstruction for tumor‐related massive defects of lower extremity long bones between 2006 and 2020, were retrospectively analyzed. The mean age was 15.8 (3.8–46.7) years. The most common tumor localizations were distal femur (42.4%) and proximal tibia (21.2%) while classic osteosarcoma and Ewing's sarcoma were the most common pathologies (60.6% and 22.7%, respectively). Mean resection and FVFG lengths were 160 (90–320) mm and 192 (125–350) mm, respectively. The mean follow‐up was 73.9 (24–192) months.ResultsThe mean MSTS score was 25.4 (15–30) and the mean ISOLS radiographic score was 22.6 (13–24). Mean time to full weight bearing without any assistive devices was 15.4 (6–40) months and the median time was 12 months. MSTS score negatively correlated with resected segment length and vascular fibula length (p < 0.001; p = 0.006). Although full contact apposition of the FH segment correlated with earlier full weight bearing compared to partial apposition (mean 13.7 vs. 17.9 months) (p = 0.042), the quality of reduction did not affect the ISOLS radiographic score at LFU. Overall limb survival rate was 96.3% at 5 and 10 years while FH survival rate was 91.0% and 88.1% at 5 and 10 years. Local recurrence‐free survival rates were 88.8% and 85.9%, and overall survival was 89.9% and 86.1% at 5 and 10 years, respectively. Limb length discrepancy was the most common complication with 34 (51.5%) patients while shell nonunion was seen in 21 (31.8%) patients and graft fracture in 6 (9.1%).ConclusionThe “FH” method is a safe, effective, and extremely cost‐efficient reconstructive tool for tumor‐related lower extremity long bone defects. Patient compliance to protracted weight‐bearing, ensuring the vitality of the FVFG, and achieving an oncologically safe resection are key factors for a successful outcome.
Kinetics of the tautomerization of thioimidic acids R−C(SH)NH → R−C(S)NH2: For R = H, F, HO, CN, NC, H2N, HC(O), HC(S), HC≡ C, CH3, CF3, H2C=CH, HOCH2, H2NCH2,CH3C(O), C2H5, (CH3)2CH, C6H5
Authors: Würmel Judith , Simmie John M. 
Published: July 2023

AbstractThe kinetics of the tautomerization of thio‐imidic acids RC(SH)NH were determined at low (50–300 K) and high (500–1500 K) temperatures as R was varied to encompass mono‐ and diatomic species H, F, HO, NC, CN through H2N, HC(O), HC(S), HC≡ C, H3C, F3C, HOCH2, H2C=CH, CH3C(O), H2NCH2 and including ethyl, isopropyl and phenyl groups. The presence of a labile H‐atom on the R‐group can give rise to an alternative reaction, as in, H3CC(SH)NH → CH2=C(SH)NH2 but these encounter much higher barriers. At the lowest temperatures there is over a million‐fold difference in the rate constants for the fastest, R = H2N, and slowest, R = F, reaction with quantum mechanical tunneling playing a dominant role which is dealt with by canonical transition state and small curvature tunneling theory. The tautomerization of similar imidic acids proceeds at much slower rates due to higher energy barriers to reaction. Additionally basic thermochemical data such as formation enthalpy, entropy, isobaric heat capacity and an enthalpy function are provided for all the species which may be useful training sets for machine‐learning/AI purposes.
The relative importance of environmental heterogeneity and dispersal limitation on spatial patterns of phytoplankton communities varies across seasons
Authors: Ge Feiyang , Chen Bin , Wang Shaopeng , Zhou Qianqian , Ma Zhiyuan , Chen Guangcheng , Yu Weiwei , Han Wenxuan , Tang Senming , Su Shangke , Zhang Dian , Zhang Wanting , Lu Xiaoqian , An Shenqun 
Published: July 2023

AbstractEnvironmental heterogeneity and dispersal limitation structure community assembly, but there is limited knowledge on how their effects vary on temporal scale. This study compiled a series of data, including phytoplankton, seawater depth and chemistry from 104 sites, to explore the spatial patterns and their drivers of phytoplankton communities in the Beibu Gulf and adjacent waters, located in the northwestern South China Sea. Our results showed that (1) the beta diversity values ranged from 0.2 to 0.84 (0.5 average), and turnover dominated. (2) The relative contributions of environmental heterogeneity and dispersal limitation to beta diversity varied seasonally, wherein former dominated in summer and winter, latter dominated in spring and autumn. (3) Hydrologic distance, pH, alkalinity, and total nitrogen were the crucial factors shaping the beta diversity pattern. This study detailed the temporal variation of the relative roles of environmental heterogeneity and dispersal limitation in shaping the patterns of phytoplankton communities, which may reflect the dynamical nature of ocean, characterized by seasonal variation in wind and hydrology. It also clarified the intrinsic linkage between these two processes in the ocean, which provides a novel insight to understanding the ocean biogeography and informs decision making for area‐based marine biodiversity conservation.
Weighted local Hardy spaces with variable exponents
Authors: Izuki Mitsuo , Nogayama Toru , Noi Takahiro , Sawano Yoshihiro 
Published: July 2023

AbstractThis paper defines local weighted Hardy spaces with variable exponents. Local Hardy spaces permit atomic decomposition, which is one of the main themes in this paper. A consequence is that the atomic decomposition is obtained for the functions in the Lebesgue spaces with exponentially decaying exponent. As applications, we obtain the boundedness of singular integral operators, the Littlewood–Paley characterization, and wavelet decomposition.
Competition between postal and bank branches for household savings: Empirical evidence from India
Authors: Fernandez Cledwyn 
Published: July 2023

AbstractPostal financial services have been the beacon on financial inclusion globally. However, with the impact of digitalization, the physical network of post offices no longer remains the core competency. This article analyzes the various factors contributing to household savings across both banks and post offices. It examines the effect of competition at the network level between banks and post offices. The main finding is that the extensive physical network of post offices does not significantly impact postal deposits. There is competition between post offices and private and public banks at the rural population class level. However, at the urban population class level, competition exists only at two levels: between private banks and India Post and between nationalized banks and India Post.