bluuebunny/crossref_metadata_2025_split huggingface dataset:
Role of Natural Products in Developing Novel Anticancer Agents: A Perspective
Authors: Shaik Baji Baba , Katari Naresh Kumar , Jonnalagadda Sreekantha Babu 
Published: November 2022

AbstractCancer is a heterogeneous disease and is one of the significant health issues, especially in public health systems around the world. Natural products and their structural derivatives with outstanding chemical diversity have been investigated for potential anti‐cancer agents. Many natural products revealing potential anti‐cancer properties such as cytotoxicity, proliferation inhibition, induced apoptosis, retard metastasis, suppressing angiogenesis, and improved chemotherapy have been isolated from various plants and herbs. Several promising lead molecules have been identified recently; a few are in the clinical trial stage. This short communication summarises the role of natural products and their analogs in anti‐cancer drug developments, especially plant, marine and microbial‐based anti‐cancer agents.
Lignans and Phenylethanoid Glycosides from the Aerial Parts of Pogostemon cablin
Authors: Chen Jiaying , Han Linhang , Li Guangxia , Sun Liqin , Qian Fei , Chen Kaixian , Zhang Liuqiang , Li Yiming 
Published: November 2022

AbstractTwo new lignans (1–2) and a new octaketide (12), together with twenty‐nine known compounds (3–11, 13–32) were isolated and identified from the aerial part of Pogostemon cablin. Their chemical structures were revealed mainly through NMR and MS data. The absolute configuration of 1 and 2 was deduced by comparing its experimental CD with the calculated ECD spectra. The inhibitory activities of the isolated compounds on LPS‐stimulated nitric oxide (NO) production in RAW 264.7 cells were investigated. At a concentration of 25 μM, compounds 1 and 11 showed approximately equal NO inhibitory effects to that of aminoguanidine.
Diclofenac Sodium Solvent Extraction Based on Two‐Phase Flow Patterns
Authors: Ansarimehr Mahvash , Rahbar-Kelishami Ahmad , Shayesteh Hadi 
Published: November 2022

AbstractDiclofenac (DF) solvent extraction using tetra‐n‐butyl ammonium bromide (TBAB) in Y‐type microfluidic junctions with liquid‐liquid two‐phase flow patterns was investigated. The hydrodynamics of parallel, slug, and droplet flows were examined. The results indicated that the extraction efficiency decreased with increasing velocity. At QO/QA greater than 2.5, the flow pattern was converted from slug into droplet flow, and due to the enlargement of the specific surface area, the extraction efficiency increased. Slug flow provided an equilibrium extraction efficiency of 99.2 %. The overall volumetric mass transfer coefficient at different lengths and widths was evaluated. The best mass transfer performance occurred in microchannels with a length of 9 cm and a width of 400 µm.
Phosphorescent Metal Halide Nanoclusters for Tunable Photodynamic Therapy
Authors: Medeiros Hyllana C. D. , Yang Chenchen , Herrera Christopher K. , Broadwater Deanna , Ensink Elliot , Bates Matthew , Lunt Richard R. , Lunt Sophia Y. 
Published: November 2022

AbstractPhotodynamic therapy (PDT) is currently limited by the inability of photosensitizers (PSs) to enter cancer cells and generate sufficient reactive oxygen species. Utilizing phosphorescent triplet states of novel PSs to generate singlet oxygen offers exciting possibilities for PDT. Here, we report phosphorescent octahedral molybdenum (Mo)‐based nanoclusters (NC) with tunable toxicity for PDT of cancer cells without use of rare or toxic elements. Upon irradiation with blue light, these molecules are excited to their singlet state and then undergo intersystem crossing to their triplet state. These NCs display surprising tunability between their cellular cytotoxicity and phototoxicity by modulating the apical halide ligand with a series of short chain fatty acids from trifluoroacetate to heptafluorobutyrate. The NCs are effective in PDT against breast, skin, pancreas, and colon cancer cells as well as their highly metastatic derivatives, demonstrating the robustness of these NCs in treating a wide variety of aggressive cancer cells. Furthermore, these NCs are internalized by cancer cells, remain in the lysosome, and can be modulated by the apical ligand to produce singlet oxygen. Thus, (Mo)‐based nanoclusters are an excellent platform for optimizing PSs. Our results highlight the profound impact of molecular nanocluster chemistry in PDT applications.
Recent Advances on High‐Capacity Sodium Manganese‐Based Oxide Cathodes for Sodium‐ion Batteries
Authors: Cao Yuge , Xiao Meijing , Sun Xuzhou , Dong Wujie , Huang Fuqiang 
Published: November 2022

AbstractSodium manganese‐based oxides (NMO) are attracting huge attention as safe and cost‐effective cathode materials for sodium‐ion batteries (SIBs). To date, one of the most important challenges of NMO‐based cathodes is the relatively low capacity. Therefore, it is of great significance to develop high‐capacity NMO‐based cathodes. Great efforts have been made to enhance the reversible capacity of NMO‐based cathodes, achieving considerable progress not only on electrochemical performance, but also the mechanism of massive sodium ion storage. In this paper, the structure and sodium storage mechanism for typical phases of NMO are reviewed, including P2, P3, O3, tunnel‐type, and spinel‐type NMO‐based cathodes. Strategies for high‐capacity NMO‐based cathodes, such as cationic substitution, anion redox activation, etc are introduced in detail. Last but not least, the future opportunities and challenges for high‐capacity NMO‐based cathode are prospected.
Qualification of a Single‐Use Disk Stack Separator for Cell Separation in Mammalian Cell‐Based Antibody Production
Authors: Ott Vivian , Müller Jan , Schirmer Cedric , Weiss Noémi , Göhmann Rüdiger , Biewald Andreas , Michel Andrej , Eibl Dieter , Eibl Regine 
Published: November 2022

AbstractSingle‐use technology is now an indispensable part of biopharmaceutical production processes. This not only applies to research and development, but also to commercial processes. The manufacturers of single‐use systems are working on improving them for use in intensified processes as well as on new developments. One of the bottlenecks was the availability of single‐use disk stack separators whose stainless steel variants are widely used in industry. In this study, the suitability of the new single‐use disk stack separator kytero 500 was investigated for the first time for cell separation in pilot‐scale Chinese hamster ovary cell‐based antibody production. The cells were completely separated over a wide range of separator settings with nearly no release of intracellular substances and no loss of the antibody.
Utility of high‐risk HPV RNA chromogenic in situ hybridization in cytology smears and liquid‐based preparations from metastatic head and neck squamous cell carcinoma
Authors: Velez Torres Jaylou M. , Alkathery Turky , Tjendra Youley , Zuo Yiqin , Kerr Darcy A. , Gomez‐Fernandez Carmen 
Published: November 2022

AbstractBackgroundHigh‐risk human papillomavirus (HR‐HPV) status is critical for the diagnosis, prognosis, and treatment of patients with oropharyngeal squamous cell carcinoma (OPSCC). Patients often present with enlarged cervical nodes, and fine‐needle aspiration cytology (FNAC) is frequently the initial diagnostic procedure. Although p16 is the most widely used surrogate marker, problems with interpretation can limit its utility in FNAC. HR‐HPV RNA in situ hybridization (ISH) has emerged as a specific way to assess HPV status on cell block preparations of cervical nodes. The authors evaluated the utility of HR‐HPV ISH in conventional smears and liquid‐based cytology (LBC) preparations of metastatic head and neck squamous cell carcinoma (SCC).MethodsThirty‐one aspirates of proven, HPV‐related SCC (confirmed by p16 and/or HR‐HPV ISH in corresponding surgical specimens) were selected. Ten aspirates of HPV‐negative SCC were also retrieved. HR‐HPV ISH was performed on 27 smears and 14 LBC preparations. All results were scored as positive, equivocal, or negative.ResultsEighty‐four percent of metastatic, HPV‐related SCCs were positive for HR‐HPV RNA ISH, with high number of signals (n = 19) and low number of signals (n = 7), whereas five HPV‐related SCCs were equivocal. All metastatic, HPV‐negative SCCs were negative for HR‐HPV ISH.ConclusionsHR‐HPV ISH can be reliably performed on smears or LBC preparations, particularly when cell blocks are unavailable or paucicellular. Results were easy to interpret when high numbers of signals were present but were challenging in aspirates with low or rare number of signals. The current study suggests that HR‐HPV ISH could be used as the initial testing modality for determining HPV status in FNAC specimens of metastatic SCC.
A smartphone authentication system based on touch gesture dynamics
Authors: Jacob Susmi , Puthuvath Vinod , Akarsh Muralidharan , George Jackson , Joseph Jewel , Joy Jigil 
Published: November 2022

SummaryDifferent authentication techniques that we use today, are prone to shoulder surfing attacks and mimicry attacks. Thus, keystroke dynamics combined with time and motion‐based typing patterns have been studied for years. In this paper, we introduce and evaluate a touch gesture‐based application to authenticate a user based on their typing behavior in distinct contexts such as lying, sitting, standing, walking, stationary, climbing up and down the stairs, by leveraging different features extracted from multiple built‐in smartphone sensors. We use various attributes including time‐based features such as dwell time and flight time and motion‐based features such as accelerometer, gyroscope, and magnetometer readings. The proposed authentication model distinguishes the legitimate smartphone owner from impostors using hand gestures, touch and keystroke dynamics. We experimented with different design alternatives such as a combination of motion sensor features, time‐based features extracted from multiple devices. In addition, we evaluated the performance using various supervised machine learning algorithms to show how to achieve high authentication accuracy and least equal error rate. A thorough evaluation shows that the system achieves authentication with 99.8% accuracy with a high AUC of 0.99 and EER of 0.11%.
Massively parallel computation of globally optimal shortest paths with curvature penalization
Authors: Mirebeau Jean‐Marie , Gayraud Lionel , Barrère Remi , Chen Da , Desquilbet François 
Published: November 2022

AbstractWe address the computation of paths globally minimizing an energy involving their curvature, with given endpoints and tangents at these endpoints, according to models known as the Reeds‐Shepp car (reversible and forward variants), the Euler‐Mumford elasticae, and the Dubins car. For that purpose, we numerically solve degenerate variants of the eikonal equation, on a three‐dimensional domain, in a massively parallel manner on a graphical processing unit. Due to the high anisotropy and nonlinearity of the addressed Partial Differential Equation, the discretization stencil is rather wide, has numerous elements, and is costly to generate, which leads to subtle compromises between computational cost, memory usage, and cache coherency. Accelerations by a factor 30 to 120 are obtained w.r.t a sequential implementation. The efficiency and the robustness of the method is illustrated in various contexts, ranging from motion planning to vessel segmentation and radar configuration.
Ecological and metabolomic responses of plants to deer exclosure in a suburban forest
Authors: Morrison Janet A. , Woldemariam Melkamu 
Published: November 2022

AbstractTrees and shrubs in suburban forests can be subject to chronic herbivory from abundant white‐tailed deer, influencing survival, growth, secondary metabolites, and ecological success in the community. We investigated how deer affect the size, cover, and metabolomes of four species in the understory of a suburban forest in central New Jersey, USA: the woody shrubs Euonymus alatus and Lindera benzoin, the tree Nyssa sylvatica, and the semi‐woody shrub Rosa multiflora. For each species, we compared plants in 38 16 m2 plots with or without deer exclosure, measuring proportion cover and mean height after 6.5 years of fencing. We scored each species in all plots for deer browsing over 8 years and assessed selection by deer among the species. We did untargeted metabolomics by sampling leaves from three plants of each species in an equal number of fenced and unfenced plots, conducting chloroform–methanol extractions followed by LC–MS/MS, and conducting statistical analysis on MetaboAnalyst. The proportion of a species browsed ranged from 0.24 to 0.35. Nyssa sylvatica appeared most selected by and susceptible to deer; in unfenced plots, both its cover and mean height were significantly lower. Only cover or height was lower for E. alatus and L. benzoin in unfenced plots, while R. multiflora height was greater. The metabolomic analysis identified 2333 metabolites, which clustered by species but not fencing treatment. However, targeted analysis of the top metabolites grouped by fencing for all samples and for each species alone and was especially clear in N. sylvatica, which also grouped by fencing using all metabolites. The most significant metabolites that were upregulated in fenced plants include some involved in defense‐related metabolic pathways, e.g., monoterpenoid biosynthesis. In overbrowsed suburban forests, variation of deer impact on species' ecological success, potentially mediated by metabolome‐wide chemical responses to deer, may contribute to changes in community structure.
Feather characteristics of loral zone in an insectivorous passerine: The Iberian gray shrike Lanius meridionalis, in southern France
Authors: Labouyrie Frédéric 
Published: November 2022

AbstractIn the French Mediterranean plain, the northern extreme of its native range, the Iberian gray shrike, Lanius meridionalis, predominantly feeds on arthropods. Its type of loral plumage plays a key role in protecting its eyes while transporting large prey. The aims are to understand the role played by feathers in protecting the animal from various types of defensive prey. I combine an inspection of large insect prey types found on larders with a review of bird specimens found in museum collections to examine the morphometric characteristics of rictal feathers and culmen. In addition, precision photographs are used to observe the posture of the plumage in natura. I could identify four categories of protective feathers: clustered bristles, semi‐bristles, semi‐plumes distributed in the loral area, and semi‐plumes above the eyes. My results suggest that the Iberian gray shrike has a complex structure of loral feathers, specific to its foraging activity and prey types. The presence of these rictal bristles is probably a protection against the movements of larger prey items, which might damage loral zone of Lanius meridionalis.
Geologic, geomorphic, and edaphic underpinnings of dryland ecosystems: Colorado Plateau landscapes in a changing world
Authors: Duniway Michael C. , Benson Christopher , Nauman Travis W. , Knight Anna , Bradford John B. , Munson Seth M. , Witwicki Dana , Livensperger Carolyn , Van Scoyoc Matthew , Fisk Terry T. , Thoma David , Miller Mark E. 
Published: November 2022

AbstractDrylands represent more than 41% of the global land surface and are at degradation risk due to land use and climate change. Developing strategies to mitigate degradation and restore drylands in the face of these threats requires an understanding of how drylands are shaped by not only soils and climate, but also geology and geomorphology. However, few studies have completed such a comprehensive analysis that relates spatial variation in plant communities to all aspects of the geologic–geomorphic–edaphic–plant–climate system. The focus of this study is the Colorado Plateau, a high‐elevation dryland in the southwestern United States, which is particularly sensitive to future change due to climate vulnerability and increasing land‐use pressure. Here, we examined 135 long‐term vegetation‐monitoring sites in three national parks and characterized connections between geology, geomorphology, soils, climate, and dryland plant communities. To first understand the geologic and geomorphic influences on soil formation and characteristics, we explore associations between soil pedons, bedrock geology, and geomorphology. Then, we characterize principal axes of variation in plant communities and ascertain controls and linkages between components of the edaphic–geomorphic system and plant community ordinations. Geologic and geomorphic substrate exerted controls on important properties of the soil profile, particularly depth, water‐holding capacity, rockiness, salinity, and fine sands. Ordination identified five distinct plant communities and three primary axes of variation, representing gradients of woody‐ to herbaceous‐dominated communities (Axis 1), saline scrublands to C3grasslands (Axis 2), and annual to perennial communities (Axis 3). Geology, geomorphology, and soil explained a large proportion of variation in Axis 1 (74%), while climate variables largely explained Axis 2 (68%), and Axis 3 was not well explained by the random forest models. The variables identified as most influential to each axis were, respectively: (1) soil depth; (2) aridity, lithology, and soil salinity; and (3) temperature and precipitation. We posit that Axis 3 represents a land degradation gradient due to historic grazing, likely exacerbated by dry conditions. Results provide a novel framework that links the geologic and geomorphic evolution of landscapes, with the distribution of soils and plant communities that can guide ecosystem management, exemplifying an approach applicable to drylands globally.
MicroRNAs: diagnostic, prognostic and therapeutic role in heart failure—a review
Authors: Gargiulo Paola , Marzano Federica , Salvatore Marco , Basile Christian , Buonocore Davide , Parlati Antonio Luca Maria , Nardi Ermanno , Asile Gaetano , Abbate Vincenza , Colella Angela , Chirico Alfonsina , Marciano Caterina , Paolillo Stefania , Perrone‐Filardi Pasquale 
Published: November 2022

AbstractHeart failure is a leading cause of morbidity and mortality, with relevant social and economic burden on global healthcare system. Although the development of novel diagnostic tools and the advance in therapies have deeply influenced the diagnosis and treatment of this disease, improving both prognosis and life expectancy of patients, hospitalization is still high, and mortality remains considerable. MicroRNAs are small endogenous RNA molecules that post‐transcriptionally regulate gene expression in both physiological and pathological processes. In recent years, microRNA have arisen as attractive therapeutic targets in the treatment of a wide spectrum of pathologies, including heart failure. In cardiac pathology, deregulation of microRNAs expression and function is associated to adverse outcome and heart failure progression. Circulating levels of specific microRNAs have emerged as useful biomarkers for the diagnosis of heart failure or as prognostic indicators. In the present review, we summarize the state of current research on the role of miRNAs as biomarkers for diagnosis and prognosis in patients with heart failure and their use as potential therapeutic targets for this condition.
Reporting complete heart block in a patient with polyarteritis nodosa after COVID‐19 vaccination
Authors: Mehrabi Nasab Entezar , Athari Seyyed Shamsadin 
Published: November 2022

AbstractComplete heart block (CHB) is a serious health condition, and polyarteritis nodosa (PAN) is an important autoimmune disease. In the COVID‐19 pandemy, several vaccines were developed for the COVID‐19 disease that shown several side effects, and some of these complications are still unknown. This is the first report of CHB in a patient with history of PAN after COVID‐19 vaccination. A 68‐year‐old man with a history of PAN referred to our hospital, complaining of presyncope episodes and dizziness after receiving a COVID‐19 vaccine. Physical examination, laboratory tests, and transthoracic echocardiography were normal. In his electrocardiogram, a narrow QRS complex, AV dissociation, and junctional escape rhythm were seen. Coronary angiography showed a mild coronary artery disease. The patient, suffering from PAN for years, was hypothesized due to CHB a few days after COVID‐19 vaccination. This case report suggests that COVID‐19 vaccines may interrupt the conduction system of the heart and the fact that underlying PAN may predispose to CHB following COVID‐19 vaccination. Further studies are needed to accurately assess a possible association between PAN, CHB, and COVID‐19 vaccines.
Multi Stimuli Responsive Non‐Doped Red Emitting AIEE Active Phenothiazine‐Based Chalcones: Crystal Structure, Solvatochromism, Turn‐on Mechanofluorochromism and Acidochromism
Authors: Kumari Reshma , Milton Marilyn Daisy 
Published: November 2022

AbstractWe report on a series of phenothiazine‐based D‐π‐A‐π‐D type cross‐conjugated non‐doped red‐emitting molecules synthesized by simple Claisen‐Schmidt condensation, which exhibit excellent AIEE phenomena through the formation of large‐sized nano‐aggregates. These thermally stable red fluorescent organic materials have low band gap energies (Eg=1.84–2.15 eV) and also display reversible mechanofluorochromism. The CIE chromaticity coordinates of red emissive ground powders were closer to the standard red‐light chromaticity coordinates. These chalcones also exhibited positive solvatochromism, and large Stokes shifts. Finally, these compounds were utilized as reversible volatile acid sensors to detect TFA in solution as well as in solid state, by virtue of the presence of electron withdrawing carbonyl oxygen, and they could detect TFA at a concentration as low as 15.8 ppm in the presence of C4.
C(spn)−X (n=1–3) Bond Activation by Iron
Authors: Bołt Małgorzata , Tiekink Eveline H. , Hansen Thomas , Bickelhaupt F. Matthias , Hamlin Trevor A. 
Published: November 2022

AbstractThe iron‐catalyzed oxidative addition of C(spn)−X bonds (n=1–3 and X=H, CH3, Cl) in archetypal model substrates H3C−CH2−X, H2C=CH−X and HC≡C−X to Fe(CO)4was investigated using relativistic density functional theory at ZORA‐OPBE/TZ2P. The C(spn)−X bonds become substantially stronger going from C(sp3)−X to C(sp2)−X to C(sp)−X, whereas the oxidative addition reaction barrier decreases along this series. Our activation strain and energy decomposition analyses expose that the decreased reaction barrier for the oxidative addition going fromsp3tosp2tospstems from a relief of the destabilizing (steric) Pauli repulsion between the catalyst and substrate. This originates from the decreasing coordination number of the carbon atom that goes from four in C(sp3)−X to three in C(sp2)−X to two in C(sp)−X. In analogy with our previous results on palladium‐catalyzed oxidative additions, this enhances the stabilizing catalyst–substrate interaction, which is able to overcome the more destabilizing strain associated with the stronger C(spn)−X bonds. This work again demonstrates that iron‐based catalysts can resemble the behavior of their well‐known palladium analogs in the oxidative addition step of cross‐coupling reactions.
Divergent Sequential Reactions of β‐(2‐Aminophenyl)‐α,β‐ynones with Malonyl Chloride
Authors: Marsicano Vincenzo , Marraffa Gianpaolo , Chiarini Marco , Palombi Laura , Arcadi Antonio 
Published: November 2022

AbstractA viable one‐pot synthesis of challenging 4H‐[3,4‐c]quinolone‐4,5(6H)‐diones by the reaction of β‐(2‐aminophenyl)‐α,β‐ynones with ethyl malonyl chloride is described. Their further elaboration in the presence of an excess of 40 % methyl amine aqueous solution in EtOH gives the benzo[c][2,7]naphthyridine‐4,5(3H,6H)‐diones of pharmacological interest in high yields. The product selectivity control of the divergent sequential condensation/C‐annulation/intramolecular transesterification vs condensation/O‐annulation/ring opening reactions of β‐(2‐aminophenyl)‐α,β‐ynones with malonyl chloride under metal free conditions has been addressed.