bluuebunny/crossref_metadata_2025 huggingface dataset:
Techno-Resilience: Unraveling the Impact of Cutting-Edge Information Technology in Crisis Management and Emergency Response for Enhanced Disaster Preparedness and Response Efficiency.
Authors: Sikder Abu Sayed , Harvey Kevin
Published: November 2024

In the contemporary era marked by escalating crises, from natural disaster to cyber-attack, effective crisis management and emergency response have become imperative. This study investigates the profound influence of cutting-edge information technology (IT) on crisis management, accentuating the concept of "Techno-Resilience" — the interplay between advanced IT and the resilience of communities and organizations in navigating, adapting to, and recovering from crises. Emphasizing disaster preparedness and response efficiency, this research explores how IT tools, including Geographic Information Systems (GIS), real-time data analytics, and communication systems, augment situational awareness, optimize resource allocation, and streamline coordination among stakeholders during crises. Employing a mixed-method approach encompassing qualitative interviews, surveys, and statistical analyses, this study meticulously examines the transformative capabilities of Techno-Resilience within crisis management frameworks. Ethical considerations were rigorously observed throughout the data collection and analysis phases. Findings unveil critical areas necessitating improvement in organizational readiness for crisis management, particularly focusing on technology availability, employee training, data security, communication efficacy, and system scalability. Additionally, an assessment of employee readiness illuminates strengths and weaknesses, directing tailored strategies to fortify their preparedness in crisis scenarios. Economic impact analyses underscore the financial advantages of robust crisis management strategies, emphasizing their role in reducing revenue loss, mitigating reputation repair costs, and safeguarding shareholder value. Insights derived from crisis preparedness statistics and crisis management investments pinpoint opportunities for organizations to bolster their crisis management approaches and allocate resources strategically. Projections within the global Crisis Emergency and Incident Management Platforms market underline the escalating significance of these platforms in managing crises on a global scale. This comprehensive study amalgamates multifaceted insights, offering a roadmap for organizations and policymakers to fortify their crisis response frameworks for a more resilient future.
Revolutionizing Web User Experience: A Pioneering Investigation into Web Performance Optimization's Impact on User Experience and Business Success
Authors: Sikder Abu Sayed
Published: November 2024

This groundbreaking research investigates the revolutionary impact of web performance optimization on both user experience and business success. In the ever-expanding digital landscape, understanding user engagement has become crucial for businesses seeking to thrive online. This study explores various web performance optimization techniques, including image compression, caching strategies, and resource prioritization, and their influence on essential user experience metrics like page load time, user satisfaction, and conversion rates. Through a multifaceted investigation, this research aims to unveil the transformative effects of these optimization techniques, transcending conventional boundaries to unlock the full potential of web platforms. Additionally, it examines the intricate relationship between web performance and business outcomes, shedding light on how optimized user experiences can catalyze increased customer loyalty, revenue growth, and competitive advantage. By delving into unexplored connections between web optimization, user experience, and business success, this study opens new avenues for web development and strategic decision-making. The findings of this study offer valuable insights and practical implications for businesses, designers, and developers seeking to enhance user experiences and optimize web performance. By implementing the cutting-edge techniques uncovered in this research, organizations can revolutionize their web presence, elevate user engagement, and gain a competitive edge in the digital marketplace.
Collaborative Development of a Statistics Microlearning Course for Health Professionals
Authors: Bohman Lena , Vitiello Regina
Published: November 2024

Teaching is often core to a librarian’s duties. However, at large institutions, there is often not enough librarian manpower to deliver in-person instruction on specialized topics to all who could benefit. In this case, librarians must look beyond the traditional in-person session to deliver educational content at scale. At our library, serving a large healthcare system with 85,000 employees, we constantly tackle issues of delivering library services at scale with limited manpower. In this article, we discuss how we tackled developing an asynchronous microlearning-based course for health care professionals on statistical analysis.
We start out with background on microlearning, a strategy for e-learning based on short “bites” of information (Gagne et al. 2019). Then we move on to the process of developing the course, which was built on an existing library program to offer GraphPad Prism licenses to health system employees. We detail how we collaborated with units across the health system, especially an e-learning specialist based in the office of data strategy and the director of biostatistics. We describe in detail the planning and development of the course, including how we decided what to cover, creating synthetic electronic health record data for video examples, and recording the microlearning videos.
Thus far, our microlearning course has received more than 1,400 views, which we consider to be very successful. However, our strategy to assess the course could be more robust, and we also talk about future strategies to gauge the success of similar projects.
Ferdinando Zuccotti, studioso colto e raffinato, ‘spirito libero’
Authors: De Bernardi Matteo
Published: November 2024

Abstract The author summarizes in this paper, entitled Ferdinando Zuccotti, learned and refined scholar, ‘free spirit’, some characteristic aspects of Prof. Zuccotti’s personality and some personal memories he has of him.
Symmetry and order of kinetic heterogeneity in Pd-Si amorphous alloys
Authors: Chen Bei , Wang Xiao-Yun , Liu Tao , Gao Ming , Wen Da-Dong , Deng Yong-He , Peng Ping ,   School of Computational Science and Electronics, Hunan Institute of Engineering, Xiangtan 411104, China,   School of Physics and Mechanical & Electrical Engineering, Jishou University, Jishou 416000, China,   School of Materials Science and Engineering, Hunan University, Changsha 410082, China
Published: November 2024

In amorphous alloys, the atomic arrangement exhibits short-range order while lacking long-range order. Despite the lack of long-range order, the local atomic arrangements and interactions can still significantly affect the motion of atoms. The microstructural features and structural evolution mechanisms of amorphous materials are key areas of research, and the dynamics of amorphous alloys can provide insights into their formation process and structural evolution. The cage effect refers to the phenomenon where atoms are trapped by their surrounding atoms, making them difficult to migrate or diffuse freely. This leads to slower diffusion rates and higher viscosities in these materials. Atomic concentration is one of the crucial factors that influence the structures and properties of amorphous materials. Variation in concentration can significantly change the material’s structure. Adjusting the atomic concentration can lead to the difference in diffusion rate between elements in the amorphous alloys, resulting in heterogeneous distributions of elements in different regions, which in turn affects the deformation characteristics of amorphous materials. This study aims to investigate the effect of Pd atomic concentration on the diffusion hindrance of Si atoms, as well as its influence on the local symmetry and order of the system. To achieve this objective, molecular dynamics simulations are employed to explore the relaxation process of atoms in Pd-Si amorphous alloys at different Pd atomic concentrations, and parameters related to atomic diffusion, displacement distribution, system symmetry, and order are analyzed. The results show that increasing the concentration of Pd atoms leads to a more significant hindrance to the diffusion of Si atoms, manifested as an increase in the abnormal peak values of the non-Gaussian parameters and a decrease in the standard deviation of the displacement. This indicates that a higher Pd atom concentration enhances the cage effect of Si atoms, thus restricting their diffusion. Additionally, the increase in Pd concentration promotes the transition from unsaturated to saturated bond type in the Pd-Si amorphous alloy, and also leads the system’s configurational entropy to decrease. This consequently enhances the local symmetry and order of the Pd-Si amorphous alloys, leading Si atoms to be located in the center of more closed, higher-symmetry, and more compact cluster structure, which strengthens their cage effect and local symmetry. This study investigates the influence of Pd atom concentration on the diffusion behavior and local environment of Si atoms, providing a new insight into the structural evolution of amorphous alloys.
Research progress of perovskite-based triple-junction tandem solar cells
Authors: Xu Chang , Zheng De-Xu , Dong Xin-Rui , Wu Sa-Jian , Wu Ming-Xing , Wang Kai , Liu Sheng-Zhong ,   Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy, Center of Materials Science and Optoelectronics Engineering, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, University of Chinese Academy of Sciences, Dalian 116023, China,   Thin-film Solar Cell Materials and Devices Engineering Research Center of Hebei Province, Hebei Province Key Laboratory of Inorganic Nanomaterials, College of Chemistry and Material Science, Hebei Normal University, Shijiazhuang 050024, China,   China National Nuclear Power Co., Ltd., Beijing 100089, China,   China National Nuclear Power Optoelectronics Technology (Shanghai) Co., Ltd., Shanghai 201306, China
Published: November 2024

The energy conversion efficiency of single-junction solar cells is limited by the Shockley-Queisser theory and the most effective strategy to break through this limit is to fabricate multi-junction tandem solar cells. Perovskite materials provide a continuously tunable energy band structure, offering a new option for light-absorbing materials in multi-junction tandem cells. In the field of perovskite-based multi-junction tandem solar cells, triple-junction tandem solar cells have demonstrated great potential. The present paper introduces the configuration of triple-junction solar cells and its facing three scientific challenges. 1) Ensuring energy level alignment among sub-cells is a critical concern for three-junction batteries. Specifically, the top wide-band gap sub-cell must possess a band gap ranging from 1.8 to 2.2 eV; however, current perovskite material systems with wide-band gaps exhibit certain defects. 2) It is essential to achieve current matching in multi-junction tandem solar cells while optimizing the absorption layer and minimizing parasitic absorption in order to maximize the current output of solar cells. 3) The functional layers of multi-junction tandem solar cells are stacked sequentially using different deposition methods, which imposes higher compatibility requirements on the intermediate interconnect layers. Subsequently, the research progress of perovskite-based triple-junction tandem solar cells is introduced, including perovskite/perovskite/silicon tandem solar cells, perovskite/perovskite/organic tandem solar cells, and all-perovskite tandem solar cells. Their respective highest efficiencies are 19.4%, 23.87%, and 27.1%. Finally, this paper explores the research directions for further improving the performance of triple-junction solar cells. In addition to improving energy conversion efficiency, perovskite-based solar cells must also solve the stability problems in order to achieve future commercialization, and provide guidance for the development of efficient triple-junction cells.
Strain induced dislocation evolution at graphene grain boundary by three-mode phase-field crystal method
Authors: Gao Feng , Li Huan-Qing , Song Zhuo , Zhao Yu-Hong ,   School of Materials Science and Engineering, North University of China, Taiyuan 030051, China,   Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China,   Liaoning Laboratory of Materials, Institute of Materials Intelligence Technology, Shenyang 110004, China
Published: November 2024

The evolution law and mechanism of grain boundary structure in the deformation process of graphene are of great significance for understanding the deformation behavior of graphene and optimizing its mechanical properties. In this work, single-layer graphene is taken as the research object and a double crystalline graphene model is established by using the three-mode phase-field crystal method, thereby in depth ascertaining the evolution mechanism of dislocations at small-angle symmetrical tilt grain boundaries in graphene under strain. In view of the relaxation and deformation process, the relationship between the number of multiple dislocations and the grain boundary angle of graphene is studied on an atomic scale, and the deformation and failure mechanism of double crystalline graphene under tensile load are revealed, and also discussed from the perspective of the free energy.

It is found that, after relaxation, with the increase of grain boundary angle, the density of dislocations at the grain boundary decreases, and the number of specific types of dislocations (5|8|7 and 5|7 dislocations) increases. Under stress loading parallel to the grain boundary, the changes of free energy of the systems containing grain boundaries with different angles show the same trend: at first, they fall to the inflection point and then rise abnormally, and the dislocation behavior cannot effectively alleviate the stress concentration caused by continuous loading in the system, leading to failure finally.

Under tensile load, the free energy changes of the systems are divided into four stages, they being stage (I), in which the dislocations at grain boundaries are slightly deformed but do not change their structure, stage (II), in which dislocations at the grain boundaries are transformed into 5|7 or 5|9 dislocation due to C—C bond fracture or rotation, and the dislocations that are “incompatible” have higher energy, making them more conducive to improving the tensile properties of graphene, stage (III), in which the 5|7 and 5|9 dislocations begin to fail, and the free energy shows a tendency to decrease significantly, and stage (IV), in which the double crystalline graphene systems are completely in failure. The system with a grain boundary angle of 10° exhibits the most substantial deduction in free energy in stages (I), (II), and (III), and possesses the highest overall tensile strength.

This work contributes to understanding the micromechanical behavior of graphene on an atomic scale.
Theoretical study on photo-ionization of helium atoms by Bessel vortex light
Authors: Zhao Ting , Gong Mao-Mao , Zhang Song-Bin ,   School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710119, China
Published: November 2024

Owing to vortex light possessing the additional orbital angular momentum, its interaction with atoms and molecules can reveal in more depth insights into dynamics than the plane wave light. This paper aims to establish a theoretical framework for the photoionization of atoms and molecules by Bessel vortex light. In the case of macroscopic gas target, helium atoms are randomly dispersed around the entire region of the Bessel vortex beam. The final photoionization cross-section is not dependent on the angular momentum of the vortex light, but depends on the opening angle of the Bessel vortex light. This paper systematically computes the variation of photoionization cross-section with photon energy and the angular distributions of photoelectrons under different geometric conditions. The computation results demonstrate that there is a significant difference in the photo-ionization cross-section between vortex light and plane wave light. In order to further investigate the characteristics of the phase singularity of the vortex light (when the light intensity reaches zero), this paper further calculates the photo-ionization of the vortex light with opening angles of 5°, 30°, and 60° at the phase singularity, respectively. The results indicate that the angular distribution of photoelectrons at these three angles is significantly dependent on the orbital angular momentum and the opening angle of the vortex light, and the calculated absolute cross-section does not equate to zero. This represents an important distinguishing feature of the Bessel vortex light when interacting with atoms, distinguishing it from the plane wave. This work lays the foundation for further studying vortex light photo-ionization and their applications.
Malaria parasites require a divergent heme oxygenase for apicoplast gene expression and biogenesis
Authors: Blackwell Amanda Mixon , Jami-Alahmadi Yasaman , Nasamu Armiyaw S , Kudo Shota , Senoo Akinobu , Slam Celine , Tsumoto Kouhei , Wohlschlegel James A , Caaveiro Jose MM , Goldberg Daniel E , Sigala Paul A
Published: November 2024

Malaria parasites have evolved unusual metabolic adaptations that specialize them for growth within heme-rich human erythrocytes. During blood-stage infection,
Plasmodium falciparum
parasites internalize and digest abundant host hemoglobin within the digestive vacuole. This massive catabolic process generates copious free heme, most of which is biomineralized into inert hemozoin. Parasites also express a divergent heme oxygenase (HO)-like protein (PfHO) that lacks key active-site residues and has lost canonical HO activity. The cellular role of this unusual protein that underpins its retention by parasites has been unknown. To unravel PfHO function, we first determined a 2.8 Å-resolution X-ray structure that revealed a highly α-helical fold indicative of distant HO homology. Localization studies unveiled PfHO targeting to the apicoplast organelle, where it is imported and undergoes N-terminal processing but retains most of the electropositive transit peptide. We observed that conditional knockdown of PfHO was lethal to parasites, which died from defective apicoplast biogenesis and impaired isoprenoid-precursor synthesis. Complementation and molecular-interaction studies revealed an essential role for the electropositive N-terminus of PfHO, which selectively associates with the apicoplast genome and enzymes involved in nucleic acid metabolism and gene expression. PfHO knockdown resulted in a specific deficiency in levels of apicoplast-encoded RNA but not DNA. These studies reveal an essential function for PfHO in apicoplast maintenance and suggest that
Plasmodium
repurposed the conserved HO scaffold from its canonical heme-degrading function in the ancestral chloroplast to fulfill a critical adaptive role in organelle gene expression.
Diversity and functional specialization of oyster immune cells uncovered by integrative single cell level investigations
Authors: de La Forest Divonne Sébastien , Pouzadoux Juliette , Romatif Océane , Montagnani Caroline , Mitta Guillaume , Destoumieux-Garzon Delphine , Gourbal Benjamin , Charrière Guillaume M , Vignal Emmanuel
Published: November 2024

Mollusks are a major component of animal biodiversity and play a critical role in ecosystems and global food security. The Pacific oyster,
Crassostrea (Magallana) gigas
, is the most farmed bivalve mollusk in the world and is becoming a model species for invertebrate biology. Despite the extensive research on hemocytes, the immune cells of bivalves, their characterization remains elusive. Here we were able to extensively characterize the diverse hemocytes and identified at least seven functionally distinct cell types and three hematopoietic lineages. A combination of single-cell RNA sequencing, quantitative cytology, cell sorting, functional assays and pseudo-time analyses was used to deliver a comprehensive view of the distinct hemocyte types. This integrative analysis enabled us to reconcile molecular and cellular data and identify distinct cell types performing specialized immune functions, such as phagocytosis, reactive oxygen species production, copper accumulation, and expression of antimicrobial peptides. This study emphasized the need for more in depth studies of cellular immunity in mollusks and non-model invertebrates and set the ground for further comparative immunology studies at the cellular level.
Hemispheric divergence of interoceptive processing across psychiatric disorders
Authors: Adamic Emily M , Teed Adam R , Avery Jason , de la Cruz Feliberto , Khalsa Sahib
Published: November 2024

Interactions between top-down attention and bottom-up visceral inputs are assumed to produce conscious perceptions of interoceptive states, and while each process has been independently associated with aberrant interoceptive symptomatology in psychiatric disorders, the neural substrates of this interface are unknown. We conducted a preregistered functional neuroimaging study of 46 individuals with anxiety, depression, and/or eating disorders (ADE) and 46 propensity-matched healthy comparisons (HC), comparing their neural activity across two interoceptive tasks differentially recruiting top-down or bottom-up processing within the same scan session. During an interoceptive attention task, top-down attention was voluntarily directed towards cardiorespiratory or visual signals. In contrast, during an interoceptive perturbation task, intravenous infusions of isoproterenol (a peripherally-acting beta-adrenergic receptor agonist) were administered in a double-blinded and placebo-controlled fashion to drive bottom-up cardiorespiratory sensations. Across both tasks, neural activation converged upon the insular cortex, localizing within the granular and ventral dysgranular subregions bilaterally. However, contrasting hemispheric differences emerged, with the ADE group exhibiting (relative to HCs) an asymmetric pattern of overlap in the left insula, with increased or decreased proportions of co-activated voxels within the left or right dysgranular insula, respectively. The ADE group also showed less agranular anterior insula activation during periods of bodily uncertainty (i.e. when anticipating possible isoproterenol-induced changes that never arrived). Finally, post-task changes in insula functional connectivity were associated with anxiety and depression severity. These findings confirm the dysgranular mid-insula as a key cortical interface where attention and prediction meet real-time bodily inputs, especially during heightened awareness of interoceptive states. Furthermore, the dysgranular mid-insula may indeed be a ‘locus of disruption’ for psychiatric disorders.
Dynamics of compartment-specific proteomic landscapes of hepatotoxic and cholestatic models of liver fibrosis
Authors: Jirouskova Marketa , Harant Karel , Cejnar Pavel , Ojha Srikant , Korelova Katerina , Sarnova Lenka , Sticova Eva , Mayr Christoph H , Schiller Herbert B , Gregor Martin
Published: November 2024

Accumulation of extracellular matrix (ECM) in liver fibrosis is associated with changes in protein abundance and composition depending upon etiology of the underlying liver disease. Current efforts to unravel etiology-specific mechanisms and pharmacological targets rely on several models of experimental fibrosis. Here, we characterize and compare dynamics of hepatic proteome remodeling during fibrosis development and spontaneous healing in experimental models of hepatotoxic (carbon tetrachloride (CCl
4
) intoxication) and cholestatic (3,5-diethoxycarbonyl-1,4-dihydrocollidine (DDC) feeding) injury. Using detergent-based tissue extraction and mass spectrometry, we identified compartment-specific changes in the liver proteome with detailed attention to ECM composition and changes in protein solubility. Our analysis revealed distinct time-resolved CCl
4
and DDC signatures, with identified signaling pathways suggesting limited healing and a potential for carcinogenesis associated with cholestasis. Correlation of protein abundance profiles with fibrous deposits revealed extracellular chaperone clusterin with implicated role in fibrosis resolution. Dynamics of clusterin expression was validated in the context of human liver fibrosis. Atomic force microscopy of fibrotic livers complemented proteomics with profiles of disease-associated changes in local liver tissue mechanics. This study determined compartment-specific proteomic landscapes of liver fibrosis and delineated etiology-specific ECM components, providing thus a foundation for future antifibrotic therapies.
Evaluación de la actividad antibacteriana y antioxidante de extractos
individuales y combinados de Aristotelia chilensis, Embothrium coccineum y
Tristerix corymbosus
Authors:   , Ojeda Flores Camila Fernanda
Published: November 2024

La flora nativa de Chile puede ser una fuente potencial de compuestos
bioactivos, sin embargo, los estudios con respecto a ello son limitados. Se
prepararon extractos hidroetanólicos de especies nativas para evaluar sus
propiedades antibacterianas. Aquellos con mejores resultados: Aristotelia
chilensis, Embothrium coccineum y Tristerix corymbosus fueron seleccionados para
continuar el estudio, donde se analizó el halo de inhibición, contenido de
fenoles totales, perfil fenólico y la capacidad antioxidante de los extractos
individuales y sus combinaciones. Los resultados indicaron que el extracto
individual de A. chilensis alcanzó la actividad antioxidante más alta dado su
alto contenido de fenoles totales; y que tanto A. chilensis como E. coccineum
tuvieron las mayores actividades antibacterianas en E. coli; y S. aureus y S.
typhi, respectivamente. Por otro lado, las tres especies nativas contribuyeron a
las mezclas binarias y ternarias, lo cual se traduce en las actividades
antimicrobiana y antioxidante de las plantas.
Estimation of Selected Metals in the Tissues of Prostate Carcinoma Patients
Authors: Khan Muhammad Shoaib , Sabir Nayab , Bhatti Anmol , Nawaz Hassan , Khalid Menahil , Hameed Khalid , Minahil
Published: November 2024

It Indicated that the Prostate cancer is common it affects nearly one-third of male over the age of 45. For two fundamental reasons, prostate cancer (PCa) is a serious health issue and a good prospect for tissue-scale, individualized modeling of cancer progression. In vivo validation might be allowed due to its compact size and the ability to measure serum PSA, a for prostate cancer blood biomarker can be diagnosed with support if certain markers identified by immunohistochemistry on tissue sections can aid in the diagnosis of adenocarcinoma that is primary in the prostate gland or metastatic. The biology of prostate cancer can be deeply understood by the gene identification and gene patterns expression. Using the Affymetrix Uranium95a, U95b, and Uranium95c chip sets (37,777 genes and expression sequence tags), Comprehensive gene expression is performed study on 152 hompsapien samples, which were from men of all ages and included cancer tissues, prostate tissues next to tumors, and prostate tissue of donor. In the prostate tissues, the majority of metals show a random distribution; nevertheless, patients show comparatively more unpredictability than controls. However, our findings indicate that the pattern of gene expression in cancer-related tissues is altered to such an extent that it resembles the effects of a cancer field. In contrast to controls, PCA and CA demonstrated how hazardous metals interfered with the critical metals' normal physiological and metabolic roles in the prostate tissues of both patient groups. In comparison to hyperthyroid patients and controls, hypothyroid patients' prostate tissues had greater mean levels of Fe, Ni, Cr, and Hg. Additionally; we discovered that by employing a unique model, Prostate cancer aggressiveness can be predicted by gene expression patterns.
Assessing Pathogenicity and Cultural Characteristics of Fusarium oxysporum f. sp. ricini Isolates from Major Castor Growing Regions of India
Authors: Aravind K. , Prasad M. Santha Lakshmi , Sagar B. Vidya , Naik D. Saida , Pushpavalli S.N.C.V.L
Published: November 2024

The present study was undertaken to investigate the pathogenicity and cultural characteristics of 20 isolates of Fusarium oxysporum f. sp. ricini, the causal fungus of wilt disease of castor (Ricinus communis L). Pathogenicity tests on the susceptible cultivar JI-35 revealed that all isolates were pathogenic, with symptoms progressing from yellowing and drooping of leaves to marginal necrosis, wilting and root discoloration. The incubation period varied significantly among the isolates, ranging from 10.0 to 22.5 days, while the per cent disease incidence (PDI) ranged from 51.7% to 100%. Cultural characterization that includes mycelial colour, colony morphology, pigmentation, growth habit and sporulation highlighted significant variability among the isolates of F. oxysporum f. sp. ricini. The colour of mycelium among the isolates ranged from white to various shades of pink and yellow, with growth habits observed as fast, moderate, or slow. Sporulation rates varied from very high to sparse among the isolates. The observed diversity in pathogenicity and cultural traits emphasized the presence of genetic variability in F. oxysporum f. sp. ricini isolates. These results are vital for understanding the pathogen virulence and for developing effective management strategies for wilt disease in castor crop.
Transition‐Metal‐Catalyzed Hydroacylation
Authors: Dong Vy M. , Kou Kevin G. M. , Le Diane N.
Published: September 2018

This chapter is a comprehensive summary of transition‐metal‐catalyzed hydroacylation. Coverage includes intra‐ and intermolecular alkene, alkyne, and carbonyl hydroacylation, including examples using formic esters and formamides as coupling partners. In addition, the mechanism and stereochemical rationale for regio‐ and/or enantioselective hydroacylation using various metal catalysts is presented in full detail. The scope and limitations of this method as well as examples of hydroacylation applied to natural products synthesis are discussed. Moreover, a comparison of transition‐metal‐catalyzed hydroacylation to NHC catalysis, and optimal conditions to perform hydroacylation reactions are presented.
M
uricauda
Authors: Bowman John P.
Published: September 2018

Mu.ri.cau'da. L. masc. n.
mus, muris
mouse; L. fem. n.
cauda
tail; N.L. fem. n.
Muricauda
tail of the mouse, referring to the cellular appendages observed on some cells.

Bacteroidetes / Flavobacteriia / Flavobacteriales / Flavobacteriaceae / Muricauda

Gram‐negative, aerobic or facultatively anaerobic, rods. Cells of older cultures are characterized by long and relatively thick (20–30 nm) appendages of variable length that end in a spherical vesicle (100–400 nm wide) that may be covered by fibrillar material. Reproduce by normal cell division. Cells occur singly or in aggregates linked together by appendage structure. Nonmotile. Do not form spores. Form yellow to orange carotenoid pigments and do not form flexirubin pigments. Chemoheterotrophic. Oxidase and catalase positive. Capable of growth on a range of carbohydrates and some amino acids and organic acids. Mainly mesophilic and neutrophilic. Halophilic requiring either Na
+
ions or sea salts for growth. The major fatty acids are C
15:0
, iso‐C
15:0
, iso‐C
15:1
, iso‐C
15:0
3‐OH, iso‐C
16:0
3‐OH, iso‐C
17:0
3‐OH, and summed feature 3 (C
16:1
ω7
c
and/or iso‐C
15:0
2‐OH). The major quinone is MK‐6. Members of the phylum
Bacteroidetes
, class
Flavobacteriia
, order
Flavobacteriales
, family
Flavobacteriaceae
. Known habitats are marine and saline environments including seawater and sediment.

DNA G + C content (mol%)
: 39.9–50.7 (HPLC or genome).

Type species
:
Muricauda ruestringensis
Bruns, Rohde and Berthe‐Corti 2001, 2005
VP
.
Borrelia
Authors: Barbour Alan G. , Schwan Tom G.
Published: September 2018

Bor.rel'i.a. N.L. fem. n.Borrelia, named after Amédée Borrel (1867–1936).

Spirochaetes / Spirochaetia / Spirochaetales / Spirochaetaceae / Borrelia

Cells are helical, 0.2–0.3 µm in diameter and 10–35 µm in length. Coils are regular in spacing. Motile. Inner and outer membranes with periplasmic flagella with 15–20 subterminal insertion points in most species. Aniline‐stain‐positive. Microaerophilic. Ferments glucose. Most species cultivable in complex, serum‐containing medium that includesN‐acetylglucosamine. Optimum growth between 33 and 38°C. Cells are polyploid, with each genome comprising a linear chromosome and one or more linear and circular plasmids. All species are host‐associated organisms that are transmitted between a mammalian, avian, or reptilian reservoir by a hematophagous arthropod. These include argasid ticks, prostriate ixodid ticks, metastriate ixodid ticks, and the human body louse. Transovarial transmission is common in the genus. Members include all known agents of relapsing fever as well as the agents of avian, bovine, and reptilian borreliosis.

DNA G + C content (mol%): 27.5–29.8.

Type species:Borrelia anserina(Sakharoff 1891) Bergey, Harrison, Breed, Hammer and Huntoon 1925, 435AL(Spirochaeta anserinaSakharoff 1891, 565;Spiroschaudinnia anserina(Sakharoff 1891) Sambon 1907, 834).
M
icropepsis
Authors: Bräuer Suzanna , Harbison Austin
Published: September 2018

Micropepsis
(Mi.cro.pep'sis. Gr. adj.
mikros
small Gr. fem. n.
pepsis
digestion; N.L. fem. n.
Micropepsis
small digester).

Proteobacteria / Alphaproteobacteria / Micropepsales / Micropepsaceae / Micropepsis

The genus
Micropepsis
is classified in the family
Micropepsaceae
in the alphaproteobacterial order
Micropepsales
. Thus far, there is only one described species,
Micropepsis pineolensis
. Cells are slightly curved rods, 0.1–0.4 µm in diameter and 0.4–4 µm long, depending on the carbon source used for growth. Endospores or prosthecae are not observed. Nonmotile. Gram‐negative. Obligately anaerobic, mildly acidophilic, and fermentative. Respiratory growth is not detected. Major fatty acids are C
18
:1
ω7
c
, C
19
:0
cyclo ω8
c
, C
14
:0
, and C
16
:0
. DNA G + C content is 61.9 mol% (
T
m
). Reside in a wide range of soils from acidic to alkaline, and dry to aquatic.

DNA G + C content (mol%)
: 61.9 (
T
m
).

Type Species
:
Micropepsis pineolensis
Harbison, Price, Flythe and Bräuer 2017, 842
VP
.
R
hizomicrobium
Authors: Ueki Atsuko
Published: September 2018

Rhi.zo.mi.cro'bi.um. Gr. n.
rhiza
a root; N.L. neut. n.
microbium
a microbe; N.L. neut. n.
Rhizomicrobium
microbe living on roots or rhizosphere.

Proteobacteria / Alphaproteobacteria / Micropepsales / Micropepsaceae / Rhizomicrobium

Facultatively anaerobic. Cells are Gram‐negative, non‐spore‐forming, straight, or slightly curved rods. Reproduction of cells is by binary fission or budding. Cells occur singly or in pairs arranged angularly. Some of the cells are motile with a single polar flagellum. Cells develop polar prosthecae or stalks with holdfast‐like structures, and cells with stalks bud daughter cells. Chemoorganotroph. Utilizes various saccharides as growth substrates. Produces acetate, lactate, fumarate, and ethanol as well as small amounts of H
2
and CO
2
. Growth temperature range is 15–40°C with an optimum of 30–35°C. pH range is 5.5–7.3 with an optimum of 6.7–6.8. NaCl concentration range is 0–1.0% (w/v). Catalase and oxidase activities are absent. Reduces Fe(III) to Fe(II) in the presence of glucose. The major cellular fatty acids are C
18:1
ω7
c
, anteiso‐C
15:0
, C
16:0
, and iso‐C
15:0
. The major quinone is Q‐10(H
0
). Affiliated with the class
Alphaproteobacteria
, family
Micropepsaceae
. Members of the genus
Rhizomicrobium
can be characterized as facultatively anaerobic, mesophilic, fermentative, and capable of iron‐reduction. Species of
Rhizomicrobium
have been isolated from rice‐plant roots in an irrigated rice field and from a biofilm attached to a graphite anode of a cellulose‐fed microbial fuel cell.

DNA G + C content (mol%)
: 53.4–64.7 (HPLC).

Type species
:
Rhizomicrobium palustre
Ueki, Kodama, Kaku, Shiromura, Satoh, Watanabe and Ueki 2010a, 2509
VP
(Effective publication: Ueki, Kodama, Kaku, Shiromura, Satoh, Watanabe and Ueki 2010a, 201).
M
ethylococcales
Authors: Bowman John P.
Published: September 2018

Me.thy.lo.coc.ca' les. N.L. masc. n.
Methylococcus
type genus of the order; ‐
ales
ending to denote an order; N.L. fem. pl. n.
Methylococcales
the
Methylococcus
order.

Proteobacteria / Gammaproteobacteria / Methylococcales

Cells are Gram‐negative. Most species appear spherical, ovoid, or rod shaped. Species when motile use a single, unsheathed polar flagellum. Form type I intracytoplasmic membranes appearing as stacks of vesicular discs. Cells often contain polyhydroxyalkanoate and polyphosphate granules. Some species form cyst‐like resting bodies that provide different degrees of desiccation resistance but not heat resistance. Occur widely in terrestrial and marine environments that receive methane flux. Strictly aerobic. Most species are catalase and oxidase positive. Most species only utilize methane and methanol as sole sources of carbon and energy. Methane is always oxidized by particulate methane monooxygenase. Soluble methane monooxygenase activity is rare. Most species can use both inorganic and organic forms of nitrogen. Main fatty acids include saturated and monounsaturated fatty acids of C
14
to C
18
chain lengths with type depending on the genus and species. Main lipoquinones are either ubiquinone‐8 or 18‐methylene‐ubiquinone‐8. Main polar lipids include phosphatidylglycerol and/or phosphatidylethanolamine. The order includes members of the families
Methylococcaceae
and
Methylothermaceae
.

Type genus
:
Methylococcus
Foster and Davis 1966, 1929
AL
, emend. Bowman, Sly, Nichols and Hayward 1993, 748.
M
icropepsales
Authors: Bräuer Suzanna , Harbison Austin , Ueki Atsuko
Published: September 2018

Mi.cro.pep.sa'les. N.L. fem. n.
Micropepsis
the type genus of the order; ‐
ales
ending denoting an order; N.L. fem. pl. n.
Micropepsales
, the order of the genus
Micropepsis
.

Proteobacteria / Alphaproteobacteria / Micropepsales

The order
Micropepsales
consists of one family, the
Micropepsaceae
. Its members are chemoheterotrophic and are widespread in soils. The order was established in 2017 based on phylogenetic analyzes of members of the genera
Rhizomicrobium
and
Micropepsis
as well as a diversity of environmental sequences.
Actinides: Crystallography
Authors: Scott Brian L. , Cary Samantha K. , Cross Justin N.
Published: September 2018

Single crystal and powder X‐ray diffraction techniques helped define the actinide series during its genesis in the early twentieth century, and these are still helping forge new understanding in all actinides and especially the late actinides. The structural information provided by these techniques, including the three‐dimensional structures of molecules and associated bond distances and angles, have laid the foundation for understanding chemical reactivity and properties in actinide materials. This article will give a brief overview of X‐ray diffraction and the types of information this technique provides. The early history of actinide crystallography and the role it played in the development of the actinide series will be addressed. The common actinide isotopes used for crystallography will be described in terms of availability and hazards. An overview of important X‐ray structures (Th–Cf) that helped advance actinide science, including the discovery of new valence states, chemical bonds, periodic trends, covalency, and other important phenomena, will be given. The article will close with potential pitfalls and corresponding solutions relevant to practicing actinide crystallography, addressing absorption, heavy atoms and pseudosymmetry, hydrogen atom location and refinement, and safe containment of radioisotopes.
Actinides: Nuclear Magnetic Resonance
Authors: Koutroulakis G. , Yasuoka H.
Published: September 2018

Nuclear magnetic resonance (NMR) is ubiquitously present in modern science. Offering a noninvasive microscopic probe, it has constituted an indispensable experimental tool for the study of the physics and chemistry of materials comprising a multitude of elements, from the humble hydrogen to highly complex lanthanides and actinides. In the case of the latter, however, the application of NMR has been hindered by grave difficulties predominantly arising from the very character of the atomic 5f electrons. Consequently, there have only been very few realizations of actinide nuclei NMR signal detection in solid‐state compounds, and the technique has been limited in scope mostly to nuclei associated with ligand atoms. Nevertheless, recent successes in observing the NMR signal of the
235
U and
239
Pu nuclei have reignited the field of actinide NMR, aiming to further relevant studies and potentially the development of technological applications. In this article, after briefly introducing the basic principles of solid‐state NMR, we discuss the various challenges in observing a resonance signal from actinide nuclei and how these manifest in specific isotopes. Then, we review in some detail the instances where applying NMR on the actinide nuclei directly was achieved, focusing on the recent discovery of the
239
Pu signal. We conclude with an example of the value of performing NMR on ligand atoms in actinide‐containing compounds to determine their ground state properties and dynamics. In particular, a summary of
17
O NMR results and their interpretation in the actinide oxides family AnO
2
is presented.
Actinides: Photoelectron Spectroscopy
Authors: Gouder Thomas , Eloirdi Rachel
Published: September 2018

A short review of photoemission studies of the early actinides is given. Emphasis is put on the gradual evolution of the actinide 5f states from bonding (delocalization) to nonbonding (localization) behavior. Localization is depicted by the withdrawal of the f states from screening of the photohole. Valence band and core level photoemission will be discussed. In the valence band, the transition from band like to localized states is seen in the appearance of multiplet peaks. Depending of the degree of f‐localization, two different final states are reached (well and poorly screened), each with characteristic multiplet peaks. Core level spectra also show two different final states, depending of f‐localization. Using photoemission data, the 5f transition to localization will be discussed for the pure elements. The effect on f‐localization of dilution, that is, isolation in a matrix, confinement to reduced dimensions (surface layers), and chemical bonding with ligand atoms will be discussed. 5f Participation in ionic bonding and its consequences on the chemical reactions of actinide surfaces will then be addressed. 5f States are responsible for the multiple valence of actinides and are of high technological relevance. We will compare the oxidation behavior of U, Np, and Pu and focus on unusual intermediate and the highest oxidation states, which are all related to the number and the degree of localization of the 5f electrons. We then discuss the reduction of high oxidation states by reaction with hydrogen and the photocatalytic reduction by water.
Actinides: Computational Chemistry
Authors: Dolg Michael , Cao Xiaoyan
Published: September 2018

Relativistic quantum chemical ab initio methods for calculations of the electronic structures of actinide and transactinide atoms and molecules are briefly reviewed. The importance of relativistic and electron correlation effects for heavy‐element quantum chemical investigations is emphasized. In addition, the need to go beyond the Dirac one‐electron relativity and to include, for example, the Breit interaction for the relativistic two‐electron interaction or even low‐order contributions from quantum electrodynamics is shown for specific examples. The possible entries on the three axes of the coordinate system of ab initio quantum chemical calculations—Hamiltonian axis, one‐, and many‐particle basis set axes—are summarized. Several choices for relativistic Hamiltonians at the all‐electron and valence‐only level are introduced and compared, and the principal strategies to account for relativistic effects, including spin–orbit interaction and electron correlation effects in calculations, are discussed. Some remarks on problems when applying density functional theory to actinide and transactinide systems are made. Finally, a few selected examples show the range of applicability of the currently available methods for theoretical investigations of the heaviest known elements and their chemistry.
Actinides: Pnictogen Complexes
Authors: Vilanova Sean P. , Walensky Justin R.
Published: September 2018

The chemistry of the heavier congeners of nitrogen is not well understood and has only been explored in more depth in the past 5 years. We examine the history of this chemistry with emphasis on molecular complexes, and the synthesis and reactivity of actinide–pnictogen complexes involving phosphorus, arsenic, and bismuth.
Actinide Speciation and Bioavailability in Fresh and Marine Waters
Authors: Markich Scott J. , Brown Paul L.
Published: September 2018

The actinides comprise a group of 15 metals (with atomic numbers ranging from 89 to 103) that are all radioactive and occur as cations in natural surface waters. Only the first 10 actinides are covered in this study, as these are the most environmentally relevant, where the dominant oxidation states are as follow: actinium(III), thorium(IV), protactinium(V), uranium(VI), neptunium(V), plutonium(IV) and (V), americium(III), curium(III), berkelium(III), and californium(III). The physicochemical form, or speciation, of an actinide (e.g., free metal ion, or complexes with inorganic or organic ligands) in natural surface waters can be determined using a range of analytical techniques. However, such methods are seldom commercially available and rarely determine a complete distribution of all metal species. A complementary approach, which is more cost effective, time efficient, and predictive, is the application of geochemical speciation modeling, which calculates the percentage distribution ofallactinide species based on known or postulated chemical reactions. The general consensus is that geochemical speciation models can provide useful results if applied correctly with an understanding of the differences between simulated and real systems. This is the first study to use an internally consistent equilibrium database within a geochemical model (WHAM) to calculate the speciation of the first 10 actinides across fresh, estuarine, and marine waters that incorporates natural dissolved organic matter (DOM) (i.e., fulvic acid). The speciation of a metal (actinide) largely governs its uptake and/or toxicity (bioavailability) in aquatic organisms. The general consensus is that bioavailability is best predicted by the concentration of the free metal ion (Mz+) and that metals complexed with most inorganic ligands (e.g., carbonate or sulfate) or natural DOM, typically have low bioavailability. There is also evidence to suggest that colloidal thorium is bioavailable to freshwater organisms. The study correlates observed actinide speciation with bioavailability (where available) or utilizes predicted actinide speciation to determine the likely magnitude of bioavailability, as applied to aquatic organisms. This study also addresses the likely effects of global ocean acidification and increased natural DOM concentrations in fresh surface waters on actinide speciation and bioavailability.