bluuebunny/crossref_metadata_2025 huggingface dataset:
A cross-sectional study of infection control measures against COVID-19 and psychological distress among Japanese workers
Authors: Yasuda Yoshino , Ishimaru Tomohiro , Nagata Masako , Tateishi Seiichiro , Eguchi Hisashi , Tsuji Mayumi , Ogami Akira , Matsuda Shinya , Fujino Yoshihisa ,   CORoNaWork project, Harada Arisa , Hino Ayako , Ando Hajime , Ikegami Kazunori , Tokutsu Kei , Muramatsu Keiji , Mori Koji , Mafune Kosuke , Kitagawa Kyoko , Liu Ning , Tanaka Rie , Matsugaki Ryutaro , Nagata Tomohisa
Published: August 2021

Objectives

This study examined the relationship between the status of infection control efforts against COVID-19 in the workplace and workers’ mental health using a large-scale Internet-based study.

Methods

This cross-sectional study was based on an Internet monitoring survey conducted during the third wave of the COVID-19 epidemic in Japan. Of the 33 302 people who participated in the survey, 27 036 were included in the analyses. Participants answered whether or not each of 10 different infection control measures was in place at their workplace (eg, wearing masks at all times during working hours). A Kessler 6 (K6) score of ≥13 was defined as mild psychological distress. The odds ratios (ORs) of psychological distress associated with infection control measures at the workplace were estimated using a multilevel logistic model nested in the prefectures of residence.

Results

The OR of subjects working at facilities with 4 or 5 infection control measures for psychological distress was 1.19 (95% confidence interval [CI]: 1.05-1.34, P = .010), that in facilities with 2 or 3 infection control measures was 1.43 (95% CI: 1.25-1.64, P < .001), and that in facilities with 1 or no infection control measures was 1.87 (95% CI: 1.63-2.14, P < .001) compared to subjects whose workplaces had ≥6 infection control measures.

Conclusion

Our findings suggest that proactive COVID-19 infection control measures can influence the mental health of workers.
Sūkṣmaśarīra
(Subtle Body)
Authors: Ruzsa Ferenc
Published: August 2021

The concept of a subtle body appears in many traditions of Indian philosophy, both in Hinduism and Buddhism. It is invisible and intangible, yet it is material. It can be the totality of a sentient being's mystical physiology, including all the vegetative and mental faculties, something in between the immaterial soul and the gross body (in Haṭha‐Yoga and Tantra). Or it can be the transmigrating entity: a ghost‐like substitute for the body after death that lasts until it enters the womb for rebirth (in many schools of Buddhism and in early Advaita Vedānta). In Sāṃkhya and in later Advaita the subtle body has both functions, while Theravāda Buddhism, Jainism, classical Yoga, Nyāya, and Vaiśeṣika reject the concept altogether.
Teleological Argument
Authors: Sober Elliott
Published: August 2021

Teleological arguments (a.k.a. design arguments) for the existence of God begin with one or more observations and conclude that what we observe was caused by God's intentional actions. These arguments can be cosmic (describing large‐scale features of the entire universe) or local (describing facts about planet Earth). The fine‐tuning argument is cosmic; it begins with the fact that life is possible in our universe only because the constants found in physical laws have values that fall in very narrow ranges. The organismic design argument is local; it focuses on the fact that the organisms around us have complex adaptive features. Design arguments have taken different forms; they can be deductive, nearly deductive, analogical, inductive, likelihoodist, Bayesian, or abductive.
Tiantai (including Zhiyi)
Authors: Chen Shuman
Published: August 2021

Considered the first Sinitic Buddhist school, the Tiantai tradition was founded in the sixth century. The Lotus Sūtra is revered as the most important scripture in Tiantai. Although the school traces its lineage back to Nāgārjuna in India, its de facto founder is Zhiyi, whose works have become authoritative in Tiantai. Zhiyi's philosophy equally values doctrine and meditation, or theory and practice. The unique doctrines, in accord with the Perfect Teaching, making Tiantai distinct from other Buddhist schools include “the three thousand dharmas of/in/as one moment of thought” (
yinian sanqian
), “inherent inclusion” (
xingju
), “inherent evil” (
xing'e
), and “identity” (
ji
). The meditation method is to observe one's moment of thought being simultaneously identical to the “three truths”: emptiness, provisional positing, and the middle (
yixin sanguan
).
Tillich, Paul
Authors: Manning Russell Re
Published: August 2021

Paul Johannes Tillich (1886–1965) was a German‐American Lutheran theologian and philosopher. Profoundly influenced by his experiences in Weimar Germany after World War I, Tillich emigrated from Frankfurt to the USA in 1939, where he held positions at Union Theological Seminary and Colombia University, New York, Harvard University, and the University of Chicago. Renowned as a philosophical theologian and theologian of culture, his major works include his three‐volumeSystematic Theology(1951–63), cultural‐theological analyses such asThe Courage to Be(1952) andDynamics of Faith(1957), as well as volumes of sermons and essays on various themes in ethics and political philosophy. Tillich's specific importance for philosophy of religion resides in his novel categorization of the history and aims of philosophy of religion, his understanding of the nature of religion, his account of God, and his concept of religious symbols.
Tolstoy, Leo
Authors: Blank Ksana
Published: August 2021

This entry discusses Tolstoy's (1828–1910) views on the meaning of life, death, aesthetics, art, Christianity, Christ and his teachings, and pacifism.
Xiong Shili
Authors: Makeham John
Published: August 2021

In China, Xiong Shili

 (1885–1968) is typically regarded as one of the most important Chinese philosophers of the twentieth century. Conventionally, he is also recognized as a founding figure of the modern New Confucian school of philosophy. Xiong's “ultimate concern” throughout his long intellectual career was to show that “Reality and function are nondual” (
ti yong bu er

). Reality is the “locus” that ontologically grounds the phenomenal (function;
yong
) yet is not different from the phenomenal. This entry introduces the influences of Buddhist ideas (drawn from Madhyamaka, Huayan, and Tiantai), as well as the
Dasheng qixin lun

 (Treatise on awakening Mahāyāna faith) on Xiong's changing formulations of the “Reality and function are nondual” thesis.
Consciousness, Argument from
Authors: Moreland J.P.
Published: August 2021

The argument from consciousness is an argument for God's existence from the existence of finite, irreducible consciousness in animals and humans. The argument is presented, its premises evaluated, and the inadequacies of strong naturalism, emergent panpsychism, and constitutive panprotopsychism are presented.
Judaism
Authors: Mittleman Alan L.
Published: August 2021

The status of philosophy in Judaism is contested. Jewish leaders have often found philosophy (or “Greek wisdom”) to be foreign and therefore suspect. Attempts were made in the Middle Ages to discourage philosophical learning and ban its books. Philosophers, for their part, sought to elevate and purify piety by interpreting away the overt anthropomorphism of scriptural texts about God. The God of philosophers has an uneasy relationship to the God of scriptural and rabbinic religion. These tensions continue into modern Jewish thought.
Intrafraction stability using full head mask for brain stereotactic radiotherapy
Authors: Tomihara Jun , Takatsu Jun , Sugimoto Satoru , Shikama Naoto , Sasai Keisuke
Published: August 2021

Purpose

We investigated the immobilization accuracy of a new type of thermoplastic mask—the Double Shell Positioning System (DSPS)—in terms of geometry and dose delivery.

Methods

Thirty‐one consecutive patients with 1–5 brain metastases treated with stereotactic radiotherapy (SRT) were selected and divided into two groups. Patients were divided into two groups. One group of patients was immobilized by the DSPS (n = 9). Another group of patients was immobilized by a combination of the DSPS and a mouthpiece (n = 22). Patient repositioning was performed with cone beam computed tomography (CBCT) and six‐degree of freedom couch. Additionally, CBCT images were acquired before and after treatment. Registration errors were analyzed with off‐line review. The inter‐ and intrafractional setup errors, and planning target volume (PTV) margin were also calculated. Delivered doses were calculated by shifting the isocenter according to inter‐ and intrafractional setup errors. Dose differences of GTV D99% were compared between planned and delivered doses against the modified PTV margin of 1 mm.

Results

Interfractional setup errors associated with the mouthpiece group were significantly smaller than the translation errors in another group (p = 0.03). Intrafractional setup errors for the two groups were almost the same in all directions. PTV margins were 0.89 mm, 0.75 mm, and 0.90 mm for the DSPS combined with the mouthpiece in lateral, vertical, and longitudinal directions, respectively. Similarly, PTV margins were 1.20 mm, 0.72 mm, and 1.37 mm for the DSPS in the lateral, vertical, and longitudinal directions, respectively. Dose differences between planned and delivered doses were small enough to be within 1% for both groups.

Conclusions

The geometric and dosimetric assessments revealed that the DSPS provides sufficient immobilization accuracy. Higher accuracy can be expected when the immobilization is combined with the use of a mouthpiece.
Compressed‐sensing accelerated magnetic resonance imaging of inner ear
Authors: Jiang Yuan , Wang Xiaoying , Zhu Lina , Liu Jing , Zhang Xiaodong , Hu Xiaoyu , Lin Zhiyong , Wang Ke , Qin Naishan
Published: August 2021

Objective

To compare conventional method and compressed‐sensing (CS) accelerated 3D balanced fast field echo imaging (bFFE) of inner ear.

Methods

Twenty patients with suspected inner ear disease underwent CS accelerated 3D‐bFFE (CS‐bFFE) and conventional 3D‐bFFE (Con‐bFFE) by a 3T MRI. The overall image quality, motion artifacts, and image quality of specific structures of inner ear were assessed on ordinal scales by three radiologists who were blinded to the scan protocols. Kendall W test was used to evaluate interobserver agreement and Wilcoxon test was performed to compare the image quality and motion artifacts between CS‐bFFE and Con‐bFFE.

Results

The acquisition duration of CS‐bFFE (1 min 53 s) was 49% faster than Con‐bFFE. Three radiologists had good inter‐observer agreement of image quality (Kendall W value of 0.829 for CS‐bFFE and 0.815 for Con‐bFFE) and motion artifacts evaluation (Kendall W value of 0861 for CS‐bFFE and 0.707 for Con‐bFFE). The better overall image quality of CS‐bFFE was assessed (4.93 ± 0.23 for CS‐bFFE, 4.53 ± 0.70 for Con‐bFFE, Z = −2.254, p = 0.024). The image quality score of facial and cochlear nerve gained higher in CS‐bFFE (4.93 ± 0.23 for CS‐bFFE, 4.58 ± 0.64 for Con‐bFFE, Z = −2.094, p = 0.036). No significant difference of motion artifacts (p = 0.050) between CS‐bFFE and Con‐bFFE.

Conclusions

The CS‐bFFE improves image quality and reduces acquisition time significantly, and it is a feasible MRI protocol for inner ear imaging.
Facile Polyphenol–Europium Assembly Enabled Functional Poly(l‐Lactic Acid) Nanofiber Mats with Enhanced Antioxidation and Angiogenesis for Accelerated Wound Healing
Authors: Wu Keke , Wu Xiaoxian , Guo Jinshan , Jiao Yanpeng , Zhou Changren
Published: August 2021

Burns, trauma, surgery and chronic diabetic ulcers are the most common reasons causing skin wounds in clinic. Thus, developing a functional wound dressing has been an imperative issue. Herein, functional wound dressing (poly(l‐lactic acid) PLLA‐((tanic acid (TA)/europium (Eu))n) is fabricated through a facile polyphenol–europium ion assembly to ameliorate wound microenvironment via scavenging excessive reactive oxygen species (ROS) and promoting angiogenesis. The physicochemical characterization indicates that the multicycle assembled TA/Eu is uniformly deposited on PLLA‐(TA/Eu)n nanofiber mats surface. In vitro 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) antioxidant tests display good antioxidant ability by scavenging more than 75% ROS, and significantly increasing the antioxidant enzyme levels in vivo. Cytocompatibility experiments illustrate that PLLA‐(TA/Eu)n nanofiber mats can promote the adhesion and proliferation of human umbilical vein endothelial cells (HUVECs) and L929 cells. Meanwhile, real‐time quantitative polymerase chain reaction (PCR) (RT‐qPCR) and western blot assays illustrate that it can stimulate proangiogenesis by elevating the expression of angiogenesis‐related genes and proteins. In vivo Sprague–Dawley (SD) rats experiments indicate that PLLA‐(TA/Eu)n nanofiber mats can significantly promote wound healing by improving both angiogenesis and antioxidant activity. Taken together, the functional PLLA‐(TA/Eu)n nanofiber mats can offer significant promise as wound dressing for accelerated wound healing.
A Flexible, Transparent Chemosensor Integrating an Inkjet‐Printed Organic Field‐Effect Transistor and a Non‐Covalently Functionalized Graphene Electrode
Authors: Lai Stefano , Vlamidis Ylea , Mishra Neeraj , Cosseddu Piero , Mišeikis Vaidotas , Ricci Pier Carlo , Voliani Valerio , Coletti Camilla , Bonfiglio Annalisa
Published: August 2021

This paper presents a novel chemical sensor that combines an organic, floating gate field‐effect transistor and a functional graphene electrode, aimed at realizing the basic building block for novel biomedical sensor systems. A non‐covalent functionalization of graphene with sensing peptides bearing a pyrene moiety is described as a way to provide graphene with chemical responsivity without affecting its electronic and optical features. Given the special properties of the materials and technologies used, and the intrinsic multi‐modality of the active device, it is possible to develop a complete range of chemosensing devices by varying the chemical specificity of the immobilized receptor. The devices are fully flexible, highly transparent, and can be completely fabricated into large areas using cost‐effective and industrially relevant techniques. A complete electrical characterization of the fabricated devices is reported, and their successful use as pH sensors is described as a representative example for demonstrating their sensing capability.
Mechanism of Magnesium Transport in Spinel Chalcogenides
Authors: Sotoudeh Mohsen , Dillenz Manuel , Groß Axel
Published: August 2021

Batteries based on multivalent ions such as magnesium have been attracting considerable attention due to their potential for high energy densities, but their low ion mobility remains an obstacle. Herein, ionic conductivity in spinel host materials, which represent a promising class of cathode and solid‐electrolyte materials in batteries, is addressed. Based on periodic density functional theory calculations, the important parameters that determine the mobility and insertion of ions are identified. In particular, the critical role that trigonal distortions of the spinel structure play for the ion mobility is highlighted. It is shown that it is the competition between coordination and bond length that governs the Mg site preference in spinel compounds upon trigonal distortions. This can only be understood by also taking covalent interactions into account. This reveals that purely ionic concepts are not sufficient to understand mobility in crystalline battery materials. Furthermore, the calculations suggest that anionic redox plays a much more important role in sulfide and selenide spinels than in oxide spinels. The findings shed light on the fundamentional mechanisms underlying ionic conductivity in solid hosts and thus may contribute to improvement of ion transport in battery electrodes.
Less Water, Naked Choline, and Solid Iodine for Superior Ecofriendly Hybrid Energy Storage
Authors: Abbas Qamar , Nürnberg Pinchas , Ricco Raffaele , Carraro Francesco , Gollas Bernhard , Schönhoff Monika
Published: August 2021

Ionic association in highly concentrated electrolytes hinders the rate performance of batteries and supercapacitors. Herein, an ecofriendly water‐in‐salt electrolyte consisting of choline chloride is proposed. The diffusivity, ionic conductivity and dissociation of water‐in‐choline salt are compared with those of water‐in‐LiTFSI electrolytes, revealing a far better dissociation of the choline salt. The electrochemical studies reveal that ion penetration into the nanoporous carbon electrode is controlled by the hydration shell of the ions and by ion‐pairing at high concentrations. Due to strong lithium hydration in water‐in‐LiTFSI, the positive and negative electrodes exhibit a disparity of the electric double‐layer (EDL) capacitance. For water‐in‐choline chloride, on the contrary, better dissociation leads to facile EDL charging and a similar capacitance at two polarities. Further, battery‐like electrodes are produced via electrodeposition of iodine in carbon electrode. The iodine‐charged battery electrode is then coupled with a carbon‐based EDL electrode in 25 mol kg−1 choline chloride to realize a hybrid capacitor. This device demonstrates constant energy efficiency for 20 000 galvanostatic charge/discharge cycles at a specific current of 1 A g−1 up to 1.6 V. Suppressed polyiodides shuttling due to a shortage of free water in the water‐in‐choline chloride makes it an electrolyte of choice for future hybrid energy storage.
Organic agriculture effect on water use, tile flow, and crop yield
Authors: Logsdon Sally D. , Cambardella Cindy , Delate Kathleen
Published: August 2021

Long‐term crop rotations in organic agricultural systems provide N additions through legumes and residual organic materials to improve soil properties. In addition, enhanced pest management and more efficient water use in the spring and fall may result from the plant biodiversity in organic rotations. The purpose of this study was to compare organic and conventional systems in terms of tile flow or water use, and to determine if corn (Zea mays L.) or soybean [Glycine max (L.) Merr.] yields differed between systems. The experimental plots were in central Iowa and consisted of three treatments: 2‐yr conventional rotation (both crops each year in split plot), 4‐yr organic rotation (all crops present each year), and organic grass–legume forage. In the fall of 2017, 2018, and 2019, organic forage used more water than the mean of the 4‐yr organic rotation, which used more water than the 2‐yr conventional rotation. The same trend was shown for the spring of 2017 and 2019. Conventional corn had higher yield than organic for 3 of 8 yr, with 5 yr not significant. Conventional soybean had higher yield than organic for 2 of 8 yr and lower for 1 yr, with 5 yr not significant. Grass weeds were inversely correlated with leaf area index of corn on 3 of 10 measurement dates and for soybean on 5 of 10 measurement dates, but broadleaf weeds only on one date for soybean. Organic agricultural systems had positive benefits for timing of water use in the spring or fall by forage, alfalfa (Medicago sativa L.), or oat (Avena sativa L.). Some years had comparable yields to conventional corn and soybean.
Organocatalytic Asymmetric Ene Reactions
Authors: Balha Megha , Parida Chandrakanta , Chandra Pan Subhas
Published: August 2021

This review article summarizes the recent developments of organocatalytic asymmetric ene reactions. Ene reaction is one of the most useful methods for the formation of C−C bonds in organic synthesis. After the development in 1943 by Kurt Alder, this reaction was thoroughly studied, and various catalytic asymmetric reports were published. This is an updated review on the organocatalytic asymmetric ene reactions.
An Efficient Diazirine‐Based Four‐Armed Cross‐linker for Photo‐patterning of Polymeric Semiconductors
Authors: Wu Changchun , Li Cheng , Yu Xiaobo , Chen Liangliang , Gao Chenying , Zhang Xisha , Zhang Guanxin , Zhang Deqing
Published: August 2021

A diazirine‐based four‐armed cross‐linker (4CNN) with a tetrahedron geometry is presented for efficient patterning of polymeric semiconductors by photo‐induced carbene insertion. After blending of 4CNN with no more than 3 % (w/w), photo‐patterning of p‐, n‐, and ambipolar semiconducting polymers with side alkyl chains was achieved; regular patterns with size as small as 5 μm were prepared with appropriate photomasks after 365 nm irradiation for just 40 s. The interchain packing order and the thin film morphology were nearly unaltered after the cross‐linking and the semiconducting properties of the patterned thin films were mostly retained. A complementary‐like inverter with a gain value of 112 was constructed easily by two steps of photo‐patterning of the p‐type and n‐type semiconducting polymers. The results show that 4CNN is a new generation of cross‐linker for the photo‐patterning of polymeric semiconductors for all‐solution‐processible flexible electronic devices.
Local management to support local fisheries: Rāhui (temporary closure) and bag limits for blackfoot abalone (Haliotis iris) in southern New Zealand
Authors: Gnanalingam Gaya , Pritchard Daniel W. , Richards Derek K. , Subritzky Peri , Flack Brendan , Hepburn Christopher D.
Published: August 2021

Spatially discrete stocks that vary in life history traits on a reef‐to‐reef scale present a challenge for fisheries managers. Nationally or regionally applied one‐size‐fits‐all approaches to management fail to account for this variability, and when coupled with fishing pressure this can result in serial depletion and localized extinction.

Where mechanisms for local management exist, as they do in New Zealand via customary protection areas (Taiāpure Local Fisheries, Mātaitai Reserves), managers have the opportunity to trial tools on scales relevant to the stocks managed. This study assesses the effect of bag limits and a rāhui (temporary closure) in managing the spatially discrete, and culturally important, blackfoot abalone (Haliotis iris, pāua) in the East Otago Taiāpure, in southern New Zealand.

Using surveys spanning 8 years and 26 sites, the rāhui was found to have had mixed results: halting the decline in pāua density at 0 m but not 0.5 m depths. The rāhui did, however, result in an increase in the percentage of individuals above the minimum legal size at both depths.

Where bag limits alone had been applied, pāua densities and the percentage of legal‐sized individuals continued to decline over the 8‐year period, with the loss of large individuals, translating into a decline in estimated egg production.

Growth estimates from mark–recapture and surveys of juvenile abundance at sites inside and outside the rāhui highlight the fine‐scale variability in pāua life history even within this local area. This suggests there may be biological impediments to pāua management using bag limits alone.

Though pāua restoration efforts have had mixed results to date, this study highlights the potential for legally empowered local managers and communities to respond to fisheries declines in their own local area in an action‐driven, adaptable, and timely way.
Measurement invariance of the Childhood Autism Rating Scale (CARS) across six countries
Authors: Stevanovic Dejan , Costanzo Floriana , Fucà Elisa , Valeri Giovanni , Vicari Stefano , Robins Diana L. , Samms‐Vaughan Maureen , Ozek Erkuran Handan , Yaylaci Ferhat , Deshpande Smita N. , Deshmukh Vaishali , Arora Narendra K. , Albores‐Gallo Lilia , García‐López Cristina , Gatica‐Bahamonde Gabriel , Gabunia Maia , Zirakashvili Medea , Machado Fernanda Prada , Radan Miruna , Samadi Sayyed Ali , TOH Teck‐Hock , Gayle Windham , Brennan Laura , Zorcec Tatjana , Auza Alejandra , de Jonge Maretha , Shoqirat Noordeen , Marini Anita , Knez Rajna
Published: August 2021

The Childhood Autism Rating Scale (CARS) is a simple and inexpensive tool for Autism spectrum disorder (ASD) assessments, with evidenced psychometric data from different countries. However, it is still unclear whether ASD symptoms are measured the same way across different societies and world regions with this tool, since data on its cross‐cultural validity are lacking. This study evaluated the cross‐cultural measurement invariance of the CARS among children with ASD from six countries, for whom data were aggregated from previous studies in India (n = 101), Jamaica (n = 139), Mexico (n = 72), Spain (n = 99), Turkey (n = 150), and the United States of America (n = 186). We analyzed the approximate measurement invariance based on Bayesian structural equation modeling. The model did not fit the data and its measurement invariance did not hold, with all items found non‐invariant across the countries. Items related to social communication and interaction (i.e., relating to people, imitation, emotional response, and verbal and nonverbal communication) displayed lower levels of cross‐country non‐invariance compared to items about stereotyped behaviors/sensory sensitivity (i.e., body and object use, adaptation to change, or taste, smell, and touch response). This study found that the CARS may not provide cross‐culturally valid ASD assessments. Thus, cross‐cultural comparisons with the CARS should consider first which items operate differently across samples of interest, since its cross‐cultural measurement non‐invariance could be a source of cross‐cultural variability in ASD presentations. Additional studies are needed before drawing valid recommendations in relation to the cultural sensitivity of particular items.
Preservice teacher perceptions of preparedness for teaching: Insights from survey research exploring the links between teacher professional standards and agency
Authors: Willis Linda‐Dianne , Shaukat Sadia , Low‐Choy Samantha
Published: August 2021

In this article we explore the use of teacher professional standards in an initial teacher education programme and preservice teacher perceptions of their preparedness for teaching using a survey of 54 first‐ and second‐year preservice teachers in a graduate‐entry programme. The survey asked the preservice teachers to respond to 16 questions based on professional standards as well as their knowledge of student learning, professional identity and teaching as a career path. The preservice teachers’ responses were analysed using a mixed methods approach that relied on quantitative methods, but was supplemented by qualitative analysis of short‐answer responses. Our analyses hypothesised about possible links between the preservice teachers’ responses and the extent to which they perceived they were classroom and career ready. The themes of teachers, teaching and student learning are used to present and discuss the results, while the notion of agency as achievement is used to deepen possible understanding about their meaning and implications. We conclude that the preservice teachers appeared to benefit from learning about professional standards throughout their programme but appeared to lack confidence in: engaging professionally with others such as parents/carers; setting objectives for all students with different backgrounds; and implementing lesson sequences that engage students and promote learning. Most doubted teaching as their future career. Finally, we discuss implications for: adopting standards‐integrated initial teacher education programme approaches; preservice and early‐career teacher professional learning needs; and future research opportunities, which include using innovative methodologies and conceptual frameworks.
Salt‐tolerant cation exchanger‐containing sulfate groups as a viable alternative for mixed‐mode type and heparin‐based affinity resins
Authors: Begić Marija , Pečenković Suzana , Gajdošik Martina Šrajer , Josić Djuro , Müller Egbert
Published: August 2021

Ion‐exchange chromatography is still one of the most popular protein separation techniques. Before chromatographic separation, the high salt concentration in various samples necessitates additional steps. Therefore, low salt tolerance of ion‐exchange resins is a drawback that needs to be addressed. Herein, the differences in salt tolerance and hydrophobicity of strong cation‐exchange TOYOPEARL resins of sulfonium and sulfate‐types were investigated. Despite only a minor structural difference, differences in selectivity and salt tolerance between the sulfate and sulfonic groups were detected. In silico calculations were also carried out for model substances representing the sulfonium and sulfate groups, wherein significant differences in hydrophobicity was observed. These experiments confirmed the hypothesis that the salt tolerance, higher affinity, and selectivity for certain vitamin K dependent clotting factors are interrelated and dependent on the presence of the sulfate group. Separation of clotting factor IX from the prothrombin complex concentrate further to confirmed the affinity for these proteins. The results show that the use of only a resin with the sulfate ligand and not with the sulfonic acid ligand allows for a facile and rapid separation of clotting factor IX and other vitamin K dependent clotting factors.
Effects of the Ligand Structure of Cu(II) Complexes on Oxidative DNA Cleavage
Authors: Han Ji Hoon , Kim Ji Hoon , Jung Maeng‐Joon , Kim Seog K. , Jang Yoon Jung
Published: August 2021

Cu complexes were synthesized by substituting the hydrogen of the amine group of basic ligand 2,2′‐dipicoylamine (dpca) (complex 2) with CH3CO (complex 1), phenyl (complex 3), and methyl (complex 4), respectively, and their DNA cleavage activity was investigated using linear dichroism (LD) and electrophoresis. The DNA cleavage efficiencies of Cu complexes 3 and 4 with phenyl and methyl, which are electron‐donating functional groups, turned out to be the highest, and LD magnitudes rapidly decreased at 260 nm. In particular, Cu complex 3 showed a rapid LD magnitude reduction to 63% of the total for 90 min, and to 50% of the total at 12 min. DNA cleavage efficiencies were high in the order of phenyl > methyl > HCH3CO, and the highest DNA cleavage efficiency was observed in the presence of electron‐donating groups. The electrophoresis results are also consistent with the changes in LD spectra over time. The Cu complexes (1–4) were found to cleave DNA through oxidative pathways, and the major reaction oxygen species involved in DNA cleavage were the superoxide radical (·O2−), singlet oxygen (1O2), and hydroxyl radical (·OH).
Synthesis and Anti‐Oomycete Activity of 1‐Sulfonyloxy/Acyloxydihydroeugenol Derivatives
Authors: Chen Genqiang , Zhu Lina , He Jiaxuan , Zhang Song , Li Yuanhao , Guo Xiaolong , Sun Di , Tian Yuee , Liu Shengming , Huang Xiaobo , Che Zhiping
Published: August 2021

Endeavor to discover biorational natural products‐based fungicides, two series (26) of novel 1‐sulfonyloxy/acyloxydihydroeugenol derivatives (3a–p and 5a–j) were prepared and assessed for their fungicidal activity against P. capsici Leonian, in vitro. Results of fungicidal activity revealed that, among all compounds, especially compounds 3a, 5c, and 5e displayed the most potent anti‐oomycete activity against P. capsici with EC50 values of 69.33, 68.81, and 67.77 mg/L, respectively. Overall, the anti‐oomycete activities of 1‐acyloxydihydroeugenol derivatives (5a–j) were higher than that of 1‐sulfonyloxydihydroeugenol derivatives (3a–p). It is proved that the introduction of the acyl group at hydroxy position of dihydroeugenol is more beneficial to improve its anti‐oomycete activity than that of the sulfonyl group. These preliminary results will pave the way for further modification of dihydroeugenol in the development of potential new fungicides.
On the Lattice Oxygen Evolution Mechanism: Avoiding Pitfalls
Authors: Exner Kai S.
Published: August 2021

The oxygen evolution reaction (OER) is often designated as the enigma in water electrolysis because the development of active and stable OER catalysts is a challenging and formidable task. While ab initio theory in the density functional theory approximation initially focused on the mechanistic description via the OH, O, and OOH adsorbates, in recent years the lattice oxygen evolution reaction (LOER) mechanism attracted increasing attention, given that the LOER is seen as the main reason for catalyst instability under anodic potential conditions. The present concept article critically analyzes the LOER and indicates pitfalls in the interpretation of this mechanistic pathway. A method to assess the energetics of the LOER in relation to conventional OER mechanisms by the compilation of free‐energy diagrams is introduced, which may contribute to enhance our understanding of the competing LOER and OER on the atomic scale. Further works are urgently needed to comprehend the interrelationship for the evolution of gaseous oxygen from the electrolyte or the crystal lattice.
High Thermal Conductivity of Carboxyl‐rich Carbon/Polyethylene Glycol Composites for Enhanced Photothermal Conversion and Latent Heat Storage
Authors: Yang Huizhi , Bai Yufeng , Ge Chunhua , Li Shangyu , Zhang Xiangdong
Published: August 2021

Main observation and conclusion

Polyethylene glycol (PEG) as phase change material (PCM) and carboxyl‐rich carbon (RHTC) with different carboxyl content was introduced to prepare RHTC/PEG composites. The composites have high thermal conductivity, photothermal conversion ability, and improved the phase change enthalpy of the system. The microstructure and thermal properties of the samples were analyzed by various characterization methods. RHTC promoted the benign growth of PEG crystallinity (110.0%), influenced the phase change enthalpy of PEG, and improved the latent heat storage capacity of composites. The non‐leakage loading of PEG in the composites can be as high as 97 wt%, and the actual phase change enthalpy is 10.7 J/g higher than that of pure PEG, 10% higher than the theoretical value. Owing to the heat storage bridge formed between PEG and RHTC, the thermal conductivity of the composites was up to 0.51 W/mK, which was 99.4% higher than that of PEG. Besides, the introduction of environmentally friendly and low‐cost RHTC gives the composites excellent photothermal conversion capability, and its photothermal conversion energy storage efficiency is as high as 90.1%. These results prove that the prepared composites are promising potential candidates in the field of thermal storage and thermal management systems.
Prediction of Multicomponent Reaction Yields Using Machine Learning
Authors: Zhu Xing‐Yong , Ran Chuan‐Kun , Wen Ming , Guo Gui‐Ling , Liu Yuan , Liao Li‐Li , Li Yi‐Zhou , Li Meng‐Long , Yu Da‐Gang
Published: August 2021

Main observation and conclusion

Prediction of reaction yields using machine learning (ML) can help chemists select high‐yielding reactions and provide prior experience before wet‐lab experimenting to improve efficiency. However, the exploration of a multicomponent organic reaction features many complex variables and limited number of experimental data, which are challenging for the application of ML. Herein, we perform yield prediction for the synthesis of 2‐oxazolidones via Cu‐catalyzed radical‐type oxy‐alkylation of allylamines and herteroarylmethylamines with CO2, which is a three‐component reaction. Using physicochemical descriptors as features to launch ML modelling, we find that XGBoost shows significantly improved performance over linear models and these features are effective for the yield prediction. Moreover, out‐of‐sample prediction indicates the application potential of the model. This study demonstrates great potential of regression‐modelling‐based ML in organic synthesis even with complex factors and a general small size of reaction data, which are generated from the classical research pattern of method for the inquiry of multicomponent reactions.
ChemiTEM – Transmission Electron Microscopy Optimized for Chemistry and Material Science
Authors: Hetaba Walid , Imlau Robert , Duarte‐Correa Liseth , Lamoth Maximilian , Kujawa Stephan , Lunkenbein Thomas
Published: August 2021

Analytical transmission electron microscopy (TEM) has become a widely implemented part of the characterization workflow in material science. TEM is the key technique for the investigation of local composition, surfaces, and atomic interfaces, all crucial to the individual function of the corresponding solid. To date, necessary tasks for a thorough spatially resolved study in nanoscience are usually performed by TEM specialists. This can lead to long response times and limits any systematic approach to efficiently elaborate new synthesis protocols. An easy TEM access in chemical laboratories for standardized investigations, e. g., material screening or qualitative compositional analysis would greatly improve research efficiency. We present the development of standard procedures and workflows optimized for non‐expert TEM users. Together with additional automation in hardware and software, the TEM user base can thus be extended, rendering it a standard tool in chemistry laboratories.
A Layered Polydiacetylene Containing Hydrogen‐Bonding 4,4′‐Bipyridyl Guests: Reversible Color Changes with a Wide‐Range Temperature Response
Authors: Mochizuki Yuki , Imai Hiroaki , Oaki Yuya
Published: August 2021

Layered organic polymers have intercalation capabilities and dynamic properties. In classical intercalation chemistry, the interlayer guests are intercalated in the host layers via electrostatic interaction. The present work shows the organic layered materials with the host‐guest interlayer interaction via hydrogen bond. Polydiacetylene (PDA) exhibits color changes from blue to red with the application of external stimuli, such as thermal and mechanical stresses. Here we report on a layered PDA containing 4,4′‐bipyridyl in the interlayer space as a hydrogen‐bonding guest. Whereas the layered PDA without interlayer guest shows the color transition at 65 °C, gradual color changes with two‐stage reversibility are observed in the temperature range of −20–240 °C by the introduction of the hydrogen‐bonding guest. The weaker interlayer interaction via the hydrogen bond promotes the dynamic motion directing the thermoresponsive color changes in a wide temperature range.
DeepRLB: A deep reinforcement learning‐based load balancing in data center networks
Authors: Rikhtegar Negar , Bushehrian Omid , Keshtgari Manijeh
Published: August 2021

Data center networks (DCNs) are facing challenging control problems such as flow scheduling, congestion control, load balancing, and bandwidth allocation when dynamically handling heterogeneous mice and elephant flows. This paper focuses on the load balancing in DCNs as an online decision‐making problem with high complexity (NP‐hard problem). Traditional load balancing approaches are usually the heuristic algorithms relying on the operator's viewpoint and a short‐term knowledge of the traffic conditions and network environment. This paper proposes DeepRLB, a deep reinforcement learning (DRL)‐based load balancing approach for software‐defined networking‐based DCNs which exploits the deep deterministic policy gradient (DDPG) algorithm to adaptively learn the link‐weight values by observing the traffic flow characteristics. The actor and critic neural networks in the DDPG model have been designed based on two learning models: fully connected (DeepRLB‐Full) and convolutional (DeepRLB‐Conv). The output of the model is further used by the controller to determine the forwarding paths for traffic flows accordingly. We evaluated the performance of DeepRLB by comparing it with ECMP as well as a per‐packet load balancing algorithm in three different data center topologies under 30 heterogeneous traffic demand matrices. The obtained results showed that the DeepRLB algorithm outperforms the ECMP with respect to studied load balancing metrics considerably (DeepRLB‐Conv achieved the best performance). As a sample, DeepRLB‐Full and DeepRLB‐Conv were able to reach 19.14% and 24.46% reduction in the total number of over‐utilized and under‐utilized network links compared to ECMP, respectively.
ORY‐1001, a KDM1A inhibitor, inhibits proliferation, and promotes apoptosis of triple negative breast cancer cells by inactivating androgen receptor
Authors: Wang Tian , Zhang Fulin , Sun Fulan
Published: August 2021

Breast cancer (BC), which is widely considered as the most common cancer in women around the world, evokes ~1.7 million new BC cases and 522,000 BC‐related deaths each year. Triple negative breast cancer (TNBC) is clinically confirmed as one of the most aggressive subtypes of BC. ORY‐1001, a clinically used lysine specific demethylase 1 (LSD1/KDM1A) inhibitor, was investigated herein to confirm its role in the progression of TNBC and reveal the potential mechanism. After treatment with ORY‐1001 in MDA‐MB‐231 and BT549 cells, the cell proliferation and apoptosis were respectively measured by CCK‐8 and TUNEL assays. The expression of proliferation‐ and apoptosis‐associated proteins was tested by means of western blot analysis. Then, R1881, an androgen receptor (AR) agonist, was used to evaluate whether the effects of ORY‐1001 on proliferation and apoptosis of TNBC cells was mediated by regulating AR. Results indicated that ORY‐1001 treatment restrained the proliferation while enhanced the apoptosis of BC cells, accompanied by the change of proliferation‐ and apoptosis‐related proteins expression. Furthermore, ORY‐1001 reduced the level of AR in BC cells. After the activation of AR by R1881, the decreased proliferation and enhanced apoptosis of BC cells triggered by ORY‐1001 intervention were partially abolished. In conclusion, this paper has presented the first evidence to suggest that ORY‐1001 inhibits proliferation and promotes apoptosis of TNBC cells by suppressing AR expression, which may constitute the theoretical basis for the clinical use of ORY‐1001 in the treatment of this disease.
Information in morphological characters
Authors: Yu Congyu , Jiangzuo Qigao , Tschopp Emanuel , Wang Haibing , Norell Mark
Published: August 2021

The construction of morphological character matrices is central to paleontological systematic study, which extracts paleontological information from fossils. Although the word information has been repeatedly mentioned in a wide array of paleontological systematic studies, its meaning has rarely been clarified nor specifically defined. It is important, however, to establish a standard to measure paleontological information because fossils are hardly complete, rendering the recognition of homologous and homoplastic structures difficult. Here, based on information theory, we show the deep connections between paleontological systematic study and communication system engineering. Information is defined as the decrease of uncertainty and it is the information in morphological characters that allows distinguishing operational taxonomic units (OTUs) and reconstructing evolutionary history. We propose that concepts in communication system engineering such as source coding and channel coding, correspond to the construction of diagnostic features and the entire character matrices in paleontological studies. The two coding strategies should be distinguished following typical communication system engineering, because they serve dual purposes. With character matrices from six different vertebrate groups, we analyzed their information properties including source entropy, mutual information, and channel capacity. Estimation of channel capacity shows character saturation of all matrices in transmitting paleontological information, indicating that, due to the presence of noise, oversampling characters not only increases the burden in character scoring, but also may decrease quality of matrices. We further test the use of information entropy, which measures how informative a variable is, as a character weighting criterion in parsimony‐based systematic studies. The results show high consistency with existing knowledge with both good resolution and interpretability.
Plant functional types broadly describe water use strategies in the Caatinga, a seasonally dry tropical forest in northeast Brazil
Authors: Wright Cynthia L. , de Lima André L. A. , de Souza Eduardo S. , West Jason B. , Wilcox Bradford P.
Published: August 2021

In seasonally dry tropical forests, plant functional type can be classified as deciduous low wood density, deciduous high wood density, or evergreen high wood density species. While deciduousness is often associated with drought‐avoidance and low wood density is often associated with tissue water storage, the degree to which these functional types may correspond to diverging and unique water use strategies has not been extensively tested.

We examined (a) tolerance to water stress, measured by predawn and mid‐day leaf water potential; (b) water use efficiency, measured via foliar δ13C; and (c) access to soil water, measured via stem water δ18O.

We found that deciduous low wood density species maintain high leaf water potential and low water use efficiency. Deciduous high wood density species have lower leaf water potential and variable water use efficiency. Both groups rely on shallow soil water. Evergreen high wood density species have low leaf water potential, higher water use efficiency, and access alternative water sources. These findings indicate that deciduous low wood density species are drought avoiders, with a specialized strategy for storing root and stem water. Deciduous high wood density species are moderately drought tolerant, and evergreen high wood density species are the most drought tolerant group.

Synthesis. Our results broadly support the plant functional type framework as a way to understand water use strategies, but also highlight species‐level differences.
Long‐term changes in occurrence, relative abundance, and reproductive fitness of bat species in relation to arrival of White‐nose Syndrome in West Virginia, USA
Authors: Johnson Catherine , Brown Donald J. , Sanders Chris , Stihler Craig W.
Published: August 2021

White‐nose syndrome (WNS) is a disease caused by the fungus Pseudogymnoascus destructans which has resulted in the deaths of millions of bats across eastern North America. To date, hibernacula counts have been the predominant means of tracking the spread and impact of this disease on bat populations. However, an understanding of the impacts of WNS on demographic parameters outside the winter season is critical to conservation and recovery of bat populations impacted by this disease. We used long‐term monitoring data to examine WNS‐related impacts to summer populations in West Virginia, where WNS has been documented since 2009. Using capture data from 290 mist‐net sites surveyed from 2003 to 2019 on the Monongahela National Forest, we estimated temporal patterns in presence and relative abundance for each bat species. For species that exhibited a population‐level response to WNS, we investigated post‐WNS changes in adult female reproductive state and body mass. Myotis lucifugus (little brown bat), M. septentrionalis (northern long‐eared bat), and Perimyotis subflavus (tri‐colored bat) all showed significant decreases in presence and relative abundance during and following the introduction of WNS, while Eptesicus fuscus (big brown bat) and Lasiurus borealis (eastern red bat) responded positively during the WNS invasion. Probability of being reproductively active was not significantly different for any species, though a shift to earlier reproduction was estimated for E. fuscus and M. septentrionalis. For some species, body mass appeared to be influenced by the WNS invasion, but the response differed by species and reproductive state. Results suggest that continued long‐term monitoring studies, additional research into impacts of this disease on the fitness of WNS survivors, and a focus on providing optimal nonwintering habitat may be valuable strategies for assessing and promoting recovery of WNS‐affected bat populations.