bluuebunny/crossref_metadata_2025_split huggingface dataset:
Highly Ordered, Self‐Assembled Monolayers of a Spin‐Crossover Complex with In‐Plane Interactions
Authors: Zheng Sipeng , Spa Silvia , van Geest Erik P. , van Ruitenbeek Jan M. , Bonnet Sylvestre 
Published: June 2021

AbstractFor the technological integration of molecular switches in electronic devices, self‐assembling nanomaterials of such switches are highly sought after. The syntheses of a new tetrapyridyl ligand bearing a C12 alkyl chain and two N−H bridges (compound 1) and of its iron(II) complex [Fe(1)(NCS)2] (compound 2), are described. Magnetic susceptibility data for bulk samples of 2 confirmed their gradual spin‐crossover properties. The self‐assembly of 1 and 2 on highly ordered pyrolytic graphite surfaces (HOPG) was investigated by Scanning Tunneling Microscopy (STM). Both compounds 1 and 2 formed ordered monolayers after deposition by drop casting. The patterns of the two compounds are very different, which is attributed to the fundamentally different hydrogen bonding networks before and after coordination of Fe(NCS)2 to the tetradentate chelate. Two possible models for the self‐assembly of 1 and 2 are provided. This work suggests that it is possible to design molecular switches that self‐assemble on surfaces in highly ordered monolayer films. This is a significant step in the development of spin‐switching materials, which may streamline the integration of molecular switches in for example memory and sensing devices.
Spin Crossover vs. High‐Spin Iron(II) Complexes in N4S2Coordination Sphere Containing Picolyl‐Thioether Ligands and NCE (E=S, Se and BH3) Co‐Ligands
Authors: Plaza‐Lozano Diego , Conde‐Gallardo Agustín , Olguín Juan 
Published: June 2021

AbstractTo study the effect of the chelate ring size on the magnetic properties of thioether‐based iron(II) metal complexes, two ligands have been envisaged, synthesised and characterised. The two ligands correspond to the bidentate benzylpicolylthioether (PySBn) and tetradentate 2,3‐bis(((2‐pyridylmethyl)thio)methyl)quinoxaline (QuinoxS). Five iron(II) complexes have been synthesised, containing either two bidentate ligands or one tetradentate ligand, and two N‐bond NCE co‐ligands (E=S, Se or BH3):trans‐[FeII(PySBn)2(NCE)2] (1 a–b) andcis‐[FeII(QuinoxS)(NCE)2] (2 a–c),afor E=S,bfor E=Se andcfor E=BH3. The iron(II) complexes have been characterised by standard techniques, X‐ray crystallography (except for complex1 a) and VT‐magnetic measurements in the solid state. X‐ray crystallography showed that all the complexes are isolated in the high spin (HS) state, based on the relatively long Fe−L bond lengths, Fe−N>2.0 Å and Fe−S≈2.5–2.6 Å. VT‐magnetic measurements demonstrated that complexes1 aand2 a‐care stabilised in the HS‐state, showing orbital contribution togand zero field splitting. However, complexes1 bshows a relatively abrupt, hysteretic, and incomplete at the low‐end spin conversion, with T1/2↓=92, T1/2↑=98 K and ΔT1/2=6 K at 5 K min−1, moreover, the hysteresis loop is scan rate dependent increasing up to 11 K at 10 K min−1. An analysis of structural and electronic parameters has been performed to rationalise the differing magnetic properties of the metal complexes, such as metallacycle size, bond lengths and angles, andcis‐vs. trans‐coordination mode. A comparison with the literature‐reported spin crossover iron(II) complexes in N4S2coordination sphere containing NCE co‐ligands has been conducted as well, finding that, as previously reported, the Fe−N−C(E) bond angle is diagnostic for determining the spin lability of the metal complexes, and in addition we have found that the N−C(E) bond length is too useful.
Rh(III)‐Catalyzed [4+2] Cyclization of 2‐Aryl‐1H‐benzo[d]imidazoles with Maleimides via C‐H Activation
Authors: Deng Chen , Li Changchang , Yao Jinzhong , Jin Quanli , Miao Maozhong , Zhou Hongwei 
Published: June 2021

AbstractA rhodium‐catalyzed formal [4+2]‐cyclization of 2‐aryl‐1H‐benzo[d]imidazoles with maleimides through C−H bond activation process is described here. Such an approach enables selectively construct a series of functionalizedcis‐dihydro‐benzimidazo[2,1‐a]isoquinolines. The reaction features a broad substrate scope with respect to both coupling components, and the desired products were obtained with up to 85 % yields.
Separation and purification of plant terpenoids from biotransformation
Authors: Chen Linhao , Pang Yaru , Luo Yan , Cheng Xu , Lv Bo , Li Chun 
Published: June 2021

AbstractThe production of plant terpenoids through biotransformation has undoubtedly become one of the research hotspots, and the continuous upgrading of the corresponding downstream technology is also particularly important. Downstream technology is the indispensable technical channel for the industrialization of plant terpenoids. How to efficiently separate high‐purity products from complex microbial fermentation broths or enzyme‐catalyzed reactions to achieve high separation rates, high returns and environmental friendliness has become the focus of research in recent years. This review mainly introduces the common separation methods of plant terpenoids based on biotransformation from the perspectives of engineering strain construction, unit separation technology, product properties and added value. Then, further attention was paid to the application prospects of intelligent cell factories and control in the separation of plant terpenoids. Finally, some current challenges and prospects are proposed, which provide possible directions and guidance for the separation and purification of terpenoids and even industrialization.
Efficacy of minute virus of mice (MVM) inactivation utilizing high temperature short time (HTST) pasteurization and suitability assessment of pasteurized, concentrated glucose feeds in Chinese hamster ovary (CHO) cell expression systems
Authors: Gemmell David K. , Mack Aaron , Wegmann Sabrina , Han David , Tuccelli Ronald , Johnson Matthew , Miller Corinne 
Published: June 2021

AbstractThere is a growing need to provide effective adventitious agent mitigation for high risk upstream cell culture raw materials used for the production of biologics. It is also highly important in the growing fields of cell and gene therapies. Glucose is a critical raw material necessary for effective cell growth and productivity; however, glucose is the highest risk animal‐origin‐free raw material for viral contamination, and often the highest risk raw material in the upstream process as more companies move to chemically defined media. This study examines the efficacy of utilizing High Temperature Short Time (HTST) pasteurization for inactivation of physiochemically resistant, worst‐case parvovirus using a bench‐scale HTST system. We demonstrated approximately six log inactivation of Minute Virus of Mice (MVM) in concentrated glucose feeds without impacting the subsequent performance of the glucose in a Chinese Hamster Ovary (CHO) expression system.
Hydrothermal synthesis of nano spheroid‐like ZnMn2O4 materials as high‐performance anodes for lithium‐ion batteries
Authors: Li Pengwei , Luo Shao‐hua , Wang Qing , Zhang Yahui , Liu Xin , Xu Caihong , Liang Jinsheng , Duan Xinhui 
Published: June 2021

SummarySpent zinc‐manganese batteries contain valuable elements, especially Zn and Mn, and recycling these metal elements can realize the sustainable development of resources. In this paper, a novel process of preparing ZnMn2O4 as anode material for lithium‐ion batteries from the spent zinc‐manganese battery is present. Nano ZnMn2O4 is synthesized by the low‐temperature hydrothermal method, and the formation mechanism is discussed. The structure, morphology, and composition of the products are characterized by XRD and SEM. The result shows that ZnMn2O4 with a crystal size of about 50 nm is prepared under the conditions of T = 200°C, pH = 7, reaction time t = 3 days, and n(Zn: Mn) = 0.966:2, which have the advantages of good crystallinity and high purity. The nanocrystallization and spheroid‐like structure of ZnMn2O4 determine that the battery assembled with ZnMn2O4 has a high initial discharge capacity, and the initial discharge specific capacity reaches 902.5 mAh g−1 at 0.1 A g−1. This study shows that the nano ZnMn2O4 synthesized by the hydrothermal method is a promising anode material for lithium‐ion batteries.
Modeling and analysis of priority and range‐based‐deterministic and synchronous multichannel extension‐guaranteed time slot allocation in IEEE 802.15.4e medium access control protocol
Authors: Asuti Manjunath G. , Basarkod Prabhugoud I. 
Published: June 2021

AbstractInternet of Things (IoT) enabled technology in the current applications such as smart grids, smart cities, and smart health sectors utilize wireless sensor networks (WSN) to establish stable and reliable communication between the nodes. Moreover, the primary requirement of WSN in IoT applications is to provide low‐rate data communication. The IEEE 802.15.4e standard‐based medium access control (MAC) protocol is found suitable for low‐rate data communication in WSN. The IEEE 802.15.4e standard adopts a deterministic and synchronous multichannel extension (DSME) MAC protocol which employs a multisuperframe structure with multichannel data transmission during the contention free period. However, the guaranteed time slot (GTS) allocation process in DSME employed by the standard may not be suitable for an adaptive traffic network scenario that has a direct impact on the throughput and bandwidth utilization. In this article, we develop a priority and range‐based DSME‐GTS allocation algorithm based on the priorities of end nodes and range estimation. Furthermore, the proposed algorithm is developed for the two types of network scenarios encountered in a star topology‐enabled WSN. In scenario‐1, the slots allocation process is carried out based on the priorities of end nodes. Next, in scenario‐2, the slots allocation process is carried out based on the range estimation of end nodes. Detailed mathematical modeling of the proposed methodology is provided for the various performance metrics. The model is validated using the MATLAB 2017a programming tool. Simulation results show that the proposed methodology outperforms the existing DSME‐GTS approaches in terms of performance metrics such as packet delivery ratio, end‐to‐end delay, packet loss ratio, throughput, delay, bandwidth utilization, and the energy consumption.
A survey of new orientations in the field of vehicular cybersecurity, applying artificial intelligence based methods
Authors: Pethő Zsombor , Török Árpád , Szalay Zsolt 
Published: June 2021

AbstractNowadays, cybersecurity is an emerging research area in the automotive industry, and it is investigated by many different perspectives. Our article is a review of existing vehicular security solutions that covers the state‐of‐the‐art and future research directions. This article is a new contribution to tutorials/surveys related to the vehicular cybersecurity domain with the latest details. We developed a database from 140 articles from the field of automotive security. In the database, we assigned specific attributes to every article (such as Web of Science Impact Factor or the number of citations). The data set was analyzed by the K‐means clustering and decision tree analysis methods to identify and characterize the generated groups of papers. Following this, the article highlights the research areas that might receive more attention in the future. Accordingly, the result of the current research can be applied by the decision‐makers, researchers, and Original Equipment Manufacturers to allocate additional resources to those domains, which is expected to shape the future of vehicular security.
Identity Wind Tunneling: A method for discovering an organization’s strategic identity using scenarios
Authors: Fergnani Alessandro , Sweeney John A. 
Published: June 2021

AbstractIn a turbulent environment characterized by unexpected events, such as the COVID‐19 pandemic, a sharp oil price decline, and dramatic economic crises, many organizations face not only challenges but also an “identity crisis” as they are unable to respond to the question "who are we as an organization?" Some organizations may concurrently hold multiple identities without being clear on whether these are shared and agreed upon, and on their role in potentially disruptive futures. In response to this challenge and addressing a methodological gap in the broader futures and foresight field, we draw on both futures and foresight as well as management and organization literature to propose a new organizational foresight method: Identity Wind Tunneling (IWT). Designed as an enhancement of wind tunneling approaches, IWT allows an organization to understand, test, and manage multiple organizational identities. Furthermore, IWT facilitates the alignment of organizational identities across a range of possible futures created during a scenario planning process with the ultimate goal of finding astrategic identity. This represents the central, enduring, and distinctive role that the organization embodies while pursuing a long‐term and holistic strategic direction that is robust across all scenarios. The strategic identity either clarifies or reimagines the identity of the organization. The paper provides a step‐by‐step explanation of how to implement IWT and ​presents a case study of its application. The method is also presented with a series of open‐source templates created on the whiteboard collaborative platform Miro (https://miro.com/app/board/o9J_kqakYjs=/).
Facile synthesis and electrocatalytic performance for oxygen reduction of boron‐doped carbon catalysts on graphene sheets
Authors: Suo Ni , Huang Hao , Wang Xi , Hou Xiaoduo , Shao Zhigang , Zhang Guifeng 
Published: June 2021

AbstractBoron‐doped carbon catalysts are synthesized via a liquid‐phase electrodeposition technique using methanol‐containing graphene nucleating agent and B2O3 dopant as the reaction solution. The relationship between boron‐doped content and specific surface area (SSA), as well as their influence on electrocatalytic activity for oxygen reduction reaction, is studied by changing the concentration of B2O3. When the concentrations of B2O3 are 23.94 and 14.36 mol ml–1, respectively, boron‐doped content and SSA reach the peak values of 0.53 at.% and 18.476 m2 g–1. The data of electrochemical tests, such as onset potential of –0.016 V and transferred electron number of 3.74–3.77 in the range of –0.5 to –0.9 V, exhibit that the catalyst with a boron‐doped content of 0.47 at.% and an SSA of 18.476 m2 g–1 has the best electrocatalytic activity in all the synthesized samples. The enhanced electrocatalytic activity is ascribed to a synergistic effect originating from boron‐doped content and SSA, in which the SSA contributes more. The experimental results have important guiding significance to maximize the oxygen reduction activity of catalysts and elucidate that it tends to design and synthesize catalysts with large SSA compared with doping.
Innovative TBM transport logistics in construction section H33 of Brenner Base Tunnel
Authors: Morocutti Alex , Lussu Andrea , Leitner Edgar , Kaiser Christian , Ertl Anton , Grüllich Sebastian 
Published: June 2021

AbstractThe Tulfes‐Pfons construction section of the Brenner Base Tunnel includes a 16.6 km long tunnel section excavated with an open gripper TBM. Due to the very difficult logistic conditions (steep access tunnel with 10 % gradient and a 90° bend at the transition to the exploratory tunnel as well as a limited clearance profile with 8 m diameter), the contractor and client decided on an alternative supply of the TBM – the ’multi‐service vehicle' (MSV). This laser‐controlled train on rubber wheels without rails is able to handle both the steep access and the 90° bend. After 16 km of excavated tunnel with a top performance of 61 m/d and top monthly performance of up to 800 m in hard rock conditions with 1000 m overburden, the decision to use the MSV has proved to be a complete success. In addition to the logistics and safety advantages, a cost reduction has also been achieved compared to the planned conventional system. MSV are a cost‐effective and technically proven alternative to conventional track‐bound TBM supply equipment.
Regulation of microglia population dynamics throughout development, health, and disease
Authors: Hammond Brady P. , Manek Rupali , Kerr Bradley J. , Macauley Matthew S. , Plemel Jason R. 
Published: June 2021

AbstractThe dynamic expansions and contractions of the microglia population in the central nervous system (CNS) to achieve homeostasis are likely vital for their function. Microglia respond to injury or disease but also help guide neurodevelopment, modulate neural circuitry throughout life, and direct regeneration. Throughout these processes, microglia density changes, as does the volume of area that each microglia surveys. Given that microglia are responsible for sensing subtle alterations to their environment, a change in their density could affect their capacity to mobilize rapidly. In this review, we attempt to synthesize the current literature on the ligands and conditions that promote microglial proliferation across development, adulthood, and neurodegenerative conditions. Microglia display an impressive proliferative capacity during development and in neurodegenerative diseases that is almost completely absent at homeostasis. However, the appropriate function of microglia in each state is critically dependent on density fluctuations that are primarily induced by proliferation. Proliferation is a natural microglial response to insult and often serves neuroprotective functions. In contrast, inappropriate microglial proliferation, whether too much or too little, often precipitates undesirable consequences for nervous system health. Thus, fluctuations in the microglia population are tightly regulated to ensure these immune cells can execute their diverse functions.
Weather, mental health, and mobility during the first wave of the COVID‐19 pandemic
Authors: Burdett Ashley , Davillas Apostolos , Etheridge Ben 
Published: June 2021

AbstractDuring the first United Kingdom wave of the COVID‐19 outbreak, the first lockdown was announced on March 23, 2020, with a final easing of the restrictions on July 4, 2020. Among the most important public health costs of lockdown restrictions are the potential adverse effects on mental health and physical activity. Using data from the UK Household Longitudinal Study and Google COVID‐19 Mobility Reports we find evidence of reduced park mobility during the initial period of the first UK lockdown and confirm existing evidence of worsening mental health. Linkage with weather data shows that contrary to popular belief, daily or weekly weather conditions do not exacerbate the mental health consequences of the pandemic, as we found no systematic associations during the first lockdown period; on the other hand, we find systematic links between park mobility and weather over the same period.
Dependence of laser‐induced optical breakdown on skin type during 1064 nm picosecond laser treatment
Authors: Kim Hyeonsoo , Hwang Jewan Kaiser , Choi Jongman , Kang Hyun Wook 
Published: June 2021

AbstractThe current study aims to evaluate the dependence of laser‐induced optical breakdown (LIOB) on skin types by using 1064 nm picosecond laser with micro‐lens arrays (MLA) and diffractive optical elements (DOE). Both black and white skin tissues were examined to comparatively assess the LIOB effects in the skin in terms of laser‐induced vacuolization. The black skin irradiated at 3.0 J/cm2 demonstrated that MLA yielded a deeper distribution (180‐400 μm) of laser‐induced vacuoles with a size of 67 μm, compared to DOE (180‐280 μm; 40 μm in size). However, the white skin presented that MLA created larger vacuoles (134 μm in size) in a smaller number at deeper distributions (125‐700 μm) than MLA with the black skin. DOE generated no laser‐induced vacuolization in the white skin. The white skin tissue with inherent higher scattering could be responsible for deeper vacuolization after the picosecond laser treatment. Further investigations are expected to determine the optimal treatment conditions for various skin types.
An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine
Authors: Nakatani Kaho , Higashi Masahiro , Fukuda Ryoichi , Sato Hirofumi 
Published: June 2021

AbstractThe resonance theory is still very useful in understanding the valence electron structure. However, such a viewpoint is not usually obtained by general‐purpose quantum chemical calculations, instead requires rather special treatment such as valence bond methods. In this study, we propose a method based on second quantization to analyze the results obtained by general‐purpose quantum chemical calculations from the local point of view of electronic structure and analyze diazadiboretidine and the tautomerization of formamide. This method requires only the “PS”‐matrix, consisting of the density matrix (P‐matrix) and overlap matrix, and can be computed with a comparable load to that of Mulliken population analysis. A key feature of the method is that, unlike other methods proposed so far, it makes direct use of the results of general‐purpose quantum chemical calculations.
Unhappiness and casual attributions of homelessness among people living homeless in León (Nicaragua)
Authors: Vázquez José Juan , Berríos Alberto 
Published: June 2021

AbstractNicaragua is one of the countries with the lowest levels of development in Latin America, with a collectivist culture, where information on people in a homeless situation is very limited. The study examines a sample of people living homeless in the city of León (Nicaragua), their level of overall happiness, their future expectations, their perception of the evolution of their situation, their causal attributions of homelessness, and the aspects they believe are most important for overcoming their situation. Forty‐one of the 68 homeless people contacted in León (Nicaragua) responded to a structured interview. The results show that the interviewees reported very low levels of overall happiness, although their future expectations were positive. The interviewees attributed homelessness situation (their own and other people's) primarily to individualistic causes and problems in family relationships, and they had a tendency to consider both themselves and other people living homeless responsible for their homelessness. The results are compared to the data obtained using similar methodologies and instruments for people living homeless in Madrid (Spain) and trash pickers in León (Nicaragua)—two groups in situations of extreme poverty and social exclusion.