bluuebunny/crossref_metadata_2025 huggingface dataset:
Obtaining High‐Paraffin‐Content Oil Depressants
Authors: Nadirov Kazim S. , Zhantasov Manap K. , Marenov Bekaydar T. , Bimbetova Gulmira Zh. , Orynbasarov Arslanbek K. , Shukhanova Zhulduz K. , Otarbayev Nurlibek Sh. , Nadirova Zhanna K. , Iztleuov Gani M. , Zhantasova Dina M.
Published: December 2020

A depressor action composition was prepared for lowering the pour point of high‐paraffin oils based on butanol and cotton soap stock fatty acids (FA), mainly a C16–C18 distillate fraction. The possibility of using cotton soap stock FA for their esterification with butyl alcohol and ester production based on them is shown. A scheme for preparing the depressor action reagent “BEG‐1” based on the esterified FA, monoethanolamine, and cotton soap stock is proposed. When the BEG was introduced into the samples of high‐paraffin oil taken directly from the group metering device, a decrease in the paraffin crystal size and shape was observed, i.e. their almost complete dissolution, which was accompanied by a change in the viscosity of the samples. Compositions having high surface‐active properties, thermodynamic resistance, and stability were prepared. The paraffin crystal morphology, crystal structure, and shape change were studied. The data obtained are of value for the pipeline transport of hydrocarbons, as the use of the proposed depressor action reagent for high‐paraffin oils can significantly reduce the viscosity of the oil in the pipeline, helping to reduce the energy costs associated with heating the oil for its pumping.
Pattern recognition: An effective tool for quality assessment of herbal medicine based on chemical information
Authors: Wang Ye , Zuo Zhi‐Tian , Wang Yuan‐Zhong
Published: December 2020

Herbal medicine has obtained great attention for its effective efficacy using its crude materials and patent medicines. It is believed that the efficacy is a synergetic action by several chemical components. To present a detailed overview of the usage of multivariate statistical techniques developed for analytical chemistry in quality assessment and origins traceability, we provided an extensive pragmatic and practical overview of these techniques for the quality control of these crude medicines. Two pattern recognition methods, unsupervised and supervised approaches, were interpreted using practical instances. Overall, the review briefly summarized common applications for location, species, harvesting time, processed production, manufacture, botanical part, and authenticity. Besides, we focused on data pretreatment and fusion strategies listing recently published literature to provide a detailed reference to choose the most appropriate statistical method and fusion strategies. Actual applications have proved chemometrics as an effective and rapid tool for the quality control of herbal medicine.
Exploring the Reactivity of a Frustrated Sn/P Lewis Pair: The Highly Selective Complexation of the cis‐Azobenzene Photoisomer
Authors: Holtkamp Philipp , Poier Dario , Neumann Beate , Stammler Hans‐Georg , Mitzel Norbert W.
Published: December 2020

The reactivity of the geminal frustrated Lewis pair (FLP) (F5C2)3SnCH2P(tBu)2 (1) was explored by reacting it with a variety of small molecules (PhOCN, PhNCS, PhCCH, tBuCCH, H3CC(O)CH=CH2, Ph[C(O)]2Ph, PhN=NPh and Me3SiCHN2), featuring polar or non‐polar multiple bonds and/or represent α,β‐unsaturated systems. While most adducts are formed readily, the binding of azobenzene requires UV‐induced photoisomerization, which results in the highly selective complexation of cis‐azobenzene. In the case of benzil, the reaction does not lead to the expected 1,2‐ or 1,4‐addition products, but to the non‐stereoselective (tBu)2PCH2‐transfer to a prochiral keto function of benzil. All adducts of 1 were characterised by means of multinuclear NMR spectroscopy, elemental analyses and X‐ray diffraction experiments.
Covalency in Actinide Compounds
Authors: Pace Kristen A. , Klepov Vladislav V. , Berseneva Anna A. , zur Loye Hans‐Conrad
Published: December 2020

Covalency in actinides has emerged as a resounding research topic on account of the technological importance in separating minor actinides from lanthanides for spent nuclear fuel processing, and utilization of their distinct bonding properties has been realized as a route towards overcoming this challenge. Because of the limited radial extent of the 4f orbitals, there is almost no 4f electron participation in bonding in lanthanides; this is not the case for the actinides, which have extended 5f orbitals that are capable of overlapping with ligand orbitals, although not to the degree of overlap as in the d orbitals of transition metals. In this concept paper, a general description of covalency in actinide compounds is provided. After introducing two main approaches to enhance covalency, either by exploiting increased orbital overlap or decreasing energy differences between the orbitals causing orbital energy degeneracy, the current state of the field is illustrated by using several examples from the recent literature. This paper is concluded by proposing the use of actinide chalcogenides as a convenient auxiliary tool to study covalency in actinide compounds.
Ditopic Chelators of Dicopper Centers for Enhanced Tyrosinases Inhibition
Authors: Buitrago Elina , Faure Clarisse , Challali Lylia , Bergantino Elisabetta , Boumendjel Ahcène , Bubacco Luigi , Carotti Marcello , Hardré Renaud , Maresca Marc , Philouze Christian , Jamet Hélène , Réglier Marius , Belle Catherine
Published: December 2020

Tyrosinase enzymes (Tys) are involved in the key steps of melanin (protective pigments) biosynthesis and molecules targeting the binuclear copper active site on tyrosinases represent a relevant strategy to regulate enzyme activities. In this work, the possible synergic effect generated by a combination of known inhibitors is studied. For this, derivatives containing kojic acid (KA) and 2‐hydroxypyridine‐N‐oxide (HOPNO) combined with a thiosemicarbazone (TSC) moiety were synthetized. Their inhibition activities were evaluated on purified tyrosinases from different sources (mushroom, bacterial, and human) as well as on melanin production by lysates from the human melanoma MNT‐1 cell line. Results showed significant enhancement of the inhibitory effects compared with the parent compounds, in particular for HOPNO‐TSC. To elucidate the interaction mode with the dicopper(II) active site, binding studies with a tyrosinase bio‐inspired model of the dicopper(II) center were investigated. The structure of the isolated adduct between one ditopic inhibitor (KA‐TSC) and the model complex reveals that the binding to a dicopper center can occur with both chelating sites. Computational studies on model complexes and docking studies on enzymes led to the identification of KA and HOPNO moieties as interacting groups with the dicopper active site.
Fluorescent Imidazo[1,2‐a]pyrimidine Compounds as Biocompatible Organic Photosensitizers that Generate Singlet Oxygen: A Potential Tool for Phototheranostics
Authors: Lima Maria L. S. O. , Braga Carolyne B. , Becher Tiago B. , Odriozola‐Gimeno Mikel , Torrent‐Sucarrat Miquel , Rivilla Iván , Cossío Fernando P. , Marsaioli Anita J. , Ornelas Catia
Published: December 2020

Photodynamic therapy has been used to treat a variety of diseases, however, there is continuing search for new biocompatible photosensitizers. Herein, we demonstrate for the first time that imidazo[1,2‐a]pyrimidine compounds are able to generate singlet oxygen species and can act as photosensitizers in the intracellular environment. Our results show that this class of compounds absorb and emit in the 400–500 nm region, present low cytotoxicity in the dark, are efficiently uptaken by cells, are fluorescent in intracellular medium, and generate singlet oxygen upon irradiation, killing cancer cells within 2 h at low concentration (2.0 μm). The imidazo[1,2‐a]pyrimidine compounds are a potential new tool for phototheranostics, because they can be simultaneously used for fluorescence imaging and photodynamic therapy.
Design and Use of Electrophilic Thiocyanating and Selenocyanating Reagents: An Interesting Trend for the Construction of SCN‐ and SeCN‐Containing Compounds
Authors: Gao Mélissa , Vuagnat Martin , Chen Mu‐Yi , Pannecoucke Xavier , Jubault Philippe , Besset Tatiana
Published: December 2020

Organothiocyanate and organoselenocyanate compounds are of paramount importance in organic chemistry as they are key intermediates to access sulfur‐ and selenium‐containing compounds. Therefore, among the different synthetic pathways to get SCN‐ and SeCN‐containing molecules, original methodologies using electrophilic reagents have recently been explored. This Minireview will showcase the recent advances that have been made. In particular, the design of several electrophilic sources and their applications for the thiocyanation and the selenocyanation of various classes of compounds will be highlighted and discussed.
Systematic Assessment of Fragment Identification for Multitarget Drug Design
Authors: Brunst Steffen , Kramer Jan S. , Kilu Whitney , Heering Jan , Pollinger Julius , Hiesinger Kerstin , George Sven , Steinhilber Dieter , Merk Daniel , Proschak Ewgenij
Published: December 2020

Designed multitarget ligands are a popular approach to generating efficient and safe drugs, and fragment‐based strategies have been postulated as a versatile avenue to discover multitarget ligand leads. To systematically probe the potential of fragment‐based multiple ligand discovery, we have employed a large fragment library for comprehensive screening on five targets chosen from proteins for which multitarget ligands have been successfully developed previously (soluble epoxide hydrolase, leukotriene A4 hydrolase, 5‐lipoxygenase, retinoid X receptor, farnesoid X receptor). Differential scanning fluorimetry served as primary screening method before fragments hitting at least two targets were validated in orthogonal assays. Thereby, we obtained valuable fragment leads with dual‐target engagement for six out of ten target combinations. Our results demonstrate the applicability of fragment‐based approaches to identify starting points for polypharmacological compound development with certain limitations.
Fluid structure interaction study in model abdominal aortic aneurysms: Influence of shape and wall motion
Authors: Philip Nimmy Thankom , Patnaik B. S. V. , B. J. Sudhir
Published: December 2020

Aneurysms are bulges in arteries which reflect unhealthy state of conduit in which blood is flowing. In the aorta, they are typically found in the abdominal region as well as thoracic region. Understanding the rupture risk of these vessels is critical to preventing failure and fatalities. In the current clinical practice, treatment modalities are initiated, when the out‐pouching exceeds maximum diameter (Dmax). However this approach is very crude as it does not account for the fluid mechanical forces and the attendant stresses. Since it is medically and ethically not possible to follow the patients to study the rupture risk potential, fluid structure interaction (FSI) modelling would be an apt tool to develop adequate understanding on various hemodynamic parameters. On the other hand, performing patient‐specific studies would demand adequate lead time and they are computationally expensive as well. In the present study, the shape of the aneurysm and its interaction with the flowing fluid are accounted through the shape indices to study the FSI effects on the hemodynamic parameters. Numerical simulation of Newtonian flow through five axi‐symmetric geometries with different shape indices coupled with a linear elastic vessel wall model is considered. From these simulations, it was observed that (Dmax) to height ratio (DHr) is the most significant shape index which influences the variation of all hemodynamic parameters, which makes it a potential candidate for predicting rupture risk. Wall acceleration due to pulsatile flow was found to cause the onset of re‐circulation zones at the centre of the aneurysm during early systole and the temporal deceleration resulted in the generation of near wall eddying structures during late diastole. Investigation of turbulence carried out with k‐ω Shear Stress transport turbulence model, predicts a turbulence intensity of greater than 1.5% in the diseased segment as well as the distal end of the aneurysm.
A grain loss prediction method based on integration of multiple classification models
Authors: Li Bingchan , Mao Bo
Published: December 2020

Grain production is an essential part of the Chinese economic system. It not only related to the survival and health of each people but also plays a critical role in social stability. However, more and more foods are wasted in different stages such as harvest, production, storage, and consumption. Therefore, it is essential to accurately evaluate the loss rate of grain during different stages and deal with it accordingly. With the advantages of the information technologies, a large volume of data has been collected in the different stages of grain production, such as harvest, processing, transportation, and consumption. In this paper, we propose an integrated structure to combine multiple clustering models to analyze the grain loss rate in different stages. kNN, softmax regression, decision tree, and XGBoost algorithms are studied and integrated with the proposed combined framework. The experimental results on the survey dataset suggested that the relevant algorithms of machine learning can be combined to improve the prediction accuracy of the grain loss rates. The evaluation results indicate that the proposed method can improve the accuracy to 94% in the test dataset which is higher than any other compared methods
Primary Ammonium Terephthalate Salts with High Moisture Resistance and Their Use in the Detection of OH Radicals
Authors: Hosokawa Teppei , Inazato Sachiko , Tohnai Norimitsu
Published: December 2020

A novel and practical method is proposed for the detection of gaseous OH radicals using a moisture‐resistant organic salt composed of terephthalic acid (TPA) and n‐alkylamine. When the alkyl chain length was greater than 8, the organic salt had a crystal structure in which the alkyl chains were arranged parallel to each other and zero‐dimensional voids were adjacent to terephthalate (TA). Since the parallelly arranged alkyl chains acted as a hydrophobic block, the organic salts had excellent humidity durability. The highly hydrophobic bis(n‐octylammonium) terephthalate (nOA‐TA) powder was exposed to gaseous OH radicals generated by a low‐pressure mercury lamp and a fluorescence response suggesting the formation of bis(n‐octylammonium) hydroxyterephthalate (nOA‐HTA) was observed. The presence of the zero‐dimensional voids in the nOA‐TA crystal caused the formation of nOA‐HTA. In addition, a sheet was prepared in which nOA‐TA crystals were uniformly immobilized in the pores of a membrane filter, and the spatial distribution of OH radicals was evaluated.
Utility of Normalized TdP Score System in Drug Proarrhythmic Potential Assessment: A Blinded in vitro Study of CiPA Drugs
Authors: Liu Tengxian , Liu Jiang , Lu Hua Rong , Li Haiyan , Gallacher David J. , Chaudhary Khuram , Wang Yaning , Yan Gan‐Xin
Published: December 2020

Drugs that prolong QT may cause torsade de pointes (TdP). However, translation of nonclinical assessment of QT prolongation or hERG channel, targeted by QT‐prolonging drugs, into clinical TdP risk has been insufficient to date. In this blinded study, we confirmed the utility of a Normalized TdP Score System in predicting drug‐induced TdP risks among 34 drugs, including 28 with low, intermediate, and high TdP risks under the Comprehensive In Vitro Proarrhythmia Assay (CiPA) initiative plus six compounds with names blinded to the investigators, using the rabbit ventricular wedge assay. Concentration‐dependent TdP scores were determined by drug‐induced changes in QT, Tp‐e, and proarrhythmias. Disclosure of the names and testing concentrations was made after completion of the experiments and report to the sponsors. Drugs’ normalized TdP scores were calculated thereafter based on their respective free clinical maximum concentration (Cmax). Drugs’ normalized TdP scores were calculated and ranked for 33 drugs, excluding 1 investigational drug, and the TdP risks of the 28 CiPA drugs were correctly distinguished according to their respective categories of low, intermediate, and high TdP risks under the CiPA initiative. Accordingly, we are able to propose the cutoff values of the normalized TdP scores at 1 × Cmax: ≤ 0, > 0 to < 0.65 and ≥ 0.65, respectively, for low, intermediate, and high risk. This blinded study supports utility of our Normalized TdP Score System in predicting drug‐induced TdP risks in 33 drugs, including 28 used for characterization of other assays under the CiPA initiative. However, these results need to be replicated in other laboratories.
Development and initial testing of an in vitro model simulating class II furcation defects
Authors: Hugo Jørgen , Koldsland Odd Carsten , Aass Anne Merete , Tiainen Hanna
Published: December 2020

Objective

To compare surface topography of porcine and human root dentin and to develop a new in vitro model for class II furcation defects. The hypothesis for this study was that porcine mandible blocks can function as a model for class II furcation defects.

Background

Treatment of mandibular class II furcation defects is unpredictable. There is a need for in vitro models to investigate new treatment methods.

Methods

A model to investigate the surface topography of porcine and human root dentin was developed and the two tissues compared by SEM imaging and profilometer. A novel method for studying class II furcation defects was then tested. Blocks of porcine mandibles with molar 3 were prepared. Buccal class II furcation defects were created. The furcation area was isolated and bioluminescent Staphylococcus epidermidis Xen43 was used to form a biofilm in the furcation area to test the functionality of the novel furcation model.

Results

Micromechanical damage caused by debridement on porcine and human root dentin showed similar pattern. No significant difference in the surface morphological parameters was observed between the corresponding porcine and human samples. The model allowed for assessment of the root surface inside the furcation area. While the number of viable bacteria in the furcation following debridement could be quantified, no significant difference between the treatment groups was detected, likely due to bacterial colonization within the periodontal ligament space.

Conclusion

Porcine and human root dentin show similar surface topography following surface debridement. Porcine mandible blocks can function as a model for class II furcation defects. However, further development and refinement of the novel in vitro model is warranted.
Exploring dyserythropoiesis in patients with myelodysplastic syndrome by imaging flow cytometry and machine‐learning assisted morphometrics
Authors: Rosenberg Carina A. , Bill Marie , Rodrigues Matthew A. , Hauerslev Mathias , Kerndrup Gitte B. , Hokland Peter , Ludvigsen Maja
Published: December 2020

Background

The hallmark of myelodysplastic syndrome (MDS) remains dysplasia in the bone marrow (BM). However, diagnosing MDS may be challenging and subject to inter‐observer variability. Thus, there is an unmet need for novel objective, standardized and reproducible methods for evaluating dysplasia. Imaging flow cytometry (IFC) offers combined analyses of phenotypic and image‐based morphometric parameters, for example, cell size and nuclearity. Hence, we hypothesized IFC to be a useful tool in MDS diagnostics.

Methods

Using a different‐from‐normal approach, we investigated dyserythropoiesis by quantifying morphometric features in a median of 5953 erythroblasts (range: 489–68,503) from 14 MDS patients, 11 healthy donors, 6 non‐MDS controls with increased erythropoiesis, and 6 patients with cytopenia.

Results

First, we morphometrically confirmed normal erythroid maturation, as immunophenotypically defined erythroid precursors could be sequenced by significantly decreasing cell‐, nuclear‐ and cytoplasm area. In MDS samples, we demonstrated cell size enlargement and increased fractions of macronormoblasts in late‐stage erythroblasts (both p < .0001). Interestingly, cytopenic controls with high‐risk mutational patterns displayed highly aberrant cell size morphometrics. Furthermore, assisted by machine learning algorithms, we reliably identified and enumerated true binucleated erythroblasts at a significantly higher frequency in two out of three erythroblast maturation stages in MDS patients compared to normal BM (both p = .0001).

Conclusion

We demonstrate proof‐of‐concept results of the applicability of automated IFC‐based techniques to study and quantify morphometric changes in dyserythropoietic BM cells. We propose that IFC holds great promise as a powerful and objective tool in the complex setting of MDS diagnostics with the potential for minimizing inter‐observer variability.
Alkaline Earth Metal Imido Complexes with Doubly Deprotonated Amidine and β‐Diketimine Ligands
Authors: Martin Johannes , Langer Jens , Elsen Holger , Harder Sjoerd
Published: December 2020

Double deprotonation of the amidine DIPP‐N=C(tBu)‐NH2 or β‐diketimine DIPP‐N=C(Me)‐C(H)=C(Me)‐NH2 (DIPP = 2,6‐diisopropylphenyl) with strong benzylcalcium or strontium bases gave metal imido complexes with the anions DIPP‐N=C(tBu)‐N2– (Am2–) and DIPP‐N=C(Me)‐C(H)=C(Me)‐N2– (BDI2–) which crystallized as tetrameric complexes with typical Ca4N4 or Sr4N4 cubane frameworks. Crystal structures of [(Am)Ca·THF]4, [(BDI)Ca·THF]4 and the first Sr imido complex [(Am)Sr·THF]4 are presented. Calculated geometries of [(Am)Ca·THF]4 and [(BDI)Ca·THF]4 (B3PW91/6‐311++G**) are in good agreement with the crystal structures. Also complexes with monoanionic ligands (Am‐H)– and (BDI‐H)– are reported. Charge delocalization in the ligand backbone is discussed. Ligand–metal bonds are calculated to be circa 90 % ionic; the NPA charges on Ca is circa +1.8. The negative charge on the ligand is delocalized over the ligand backbone but there is still considerable electron density on the terminal N (–1.4). Despite this high negative charge, the reactivity of these complexes is generally low due to the strongly bound cubane core. Reaction of [(Am)Ca·THF]4 with phenyl cyanide gave the [(Am)Ca·PhCN]4, clearly demonstrating its low reactivity. Attempts to break the tetrameric cluster in smaller aggregates by addition of 18‐crown‐6 led to protonation and isolation of (Am‐H)2Ca·(18‐crown‐6). Reaction of [(Am)Ca·THF]4 with iPrN=C=NiPr gave after addition a complex with a unique amido‐guanidinate ligand.
The global fall and rise of oyster reefs
Authors: McAfee Dominic , Connell Sean D
Published: December 2020

Non‐native species that act as ecosystem engineers – creating new or reintroducing former habitats – challenge perceptions in conservation and restoration. In the wake of the loss of oyster reefs worldwide, non‐native Pacific oysters (Magallana gigas) are now spreading extensively across the former distributions of native reef‐building oyster species. Here, we show that the coastal expansion of Pacific oysters (approximately 1000 km per year) is occurring across the eradicated distribution (>100,000 km) of native oysters. Where Pacific oysters build reefs, they create conspicuous challenges and opportunities for society. Although their reefs alter benthic habitats and often displace native species, Pacific oysters are one of the world’s most valuable aquaculture species, and they also provide numerous ecosystem services. Whether Pacific oysters are the forerunners of habitat regeneration will challenge natural resource management as well as policy making, as coastal communities weigh the pros and cons of embracing or removing this non‐native species.
An arbitrary Lagrangian–Eulerian‐based finite element strategy for modeling incompressible two‐phase flows
Authors: Potghan Nilesh , Jog Chandrashekhar S.
Published: December 2020

In this work, we develop a numerical strategy for solving two‐phase immiscible incompressible fluid flows in a general arbitrary Lagrangian–Eulerian framework. As we use a conforming mesh moving with one of the fluids, there is no need to track or reconstruct the interface explicitly. A sharp interface, discontinuity in the fluid properties, and the jump in the pressure field are all accurately modeled using the dummy‐node technique. One of the challenges that this work addresses is to obtain a C0‐continuous approximation for the surface tension force term on the reference configuration, and to obtain its consistent linearization within the context of a Newton–Raphson strategy. It is shown by means of various numerical examples that the strategy is computationally efficient and robust, and circumvents the need for remeshing upto significantly large deformations.
Individual differences in interoceptive accuracy and prediction error in motor functional neurological disorders: ADTIstudy
Authors: Sojka Petr , Diez Ibai , Bareš Martin , Perez David L.
Published: December 2020

In motor functional neurological disorders (mFND), relationships between interoception (a construct of high theoretical relevance to its pathophysiology) and neuroanatomy have not been previously investigated. This study characterized white matter in mFND patients compared to healthy controls (HCs), and investigated associations between fiber bundle integrity and cardiac interoception. Voxel‐based analysis and tractography quantified fractional anisotropy (FA) in 38 mFND patients compared to 38 HCs. Secondary analyses compared functional seizures (FND‐seiz;n= 21) or functional movement disorders (n= 17) to HCs. Network lesion mapping identified gray matter origins of implicated fiber bundles. Within‐group mFND analyses investigated relationships between FA, heartbeat tracking accuracy and interoceptive trait prediction error (discrepancies between interoceptive accuracy and self‐reported bodily awareness). Results were corrected for multiple comparisons, and all findings were adjusted for depression and trait anxiety. mFND and HCs did not show any between‐group interoceptive accuracy or FA differences. However, the FND‐seiz subgroup compared to HCs showed decreased integrity in right‐lateralized tracts: extreme capsule/inferior fronto‐occipital fasciculus, arcuate fasciculus, inferior longitudinal fasciculus, and thalamic/striatum to occipital cortex projections. These alterations originated predominantly from the right temporoparietal junction and inferior temporal gyrus. In mFND patients, individual differences in interoceptive accuracy and interoceptive trait prediction error correlated with fiber bundle integrity originating from the insula, temporoparietal junction, putamen and thalamus among other regions. In this first study investigating brain‐interoception relationships in mFND, individual differences in interoceptive accuracy and trait prediction error mapped onto multimodal integration‐related fiber bundles. Right‐lateralized limbic and associative tract disruptions distinguished FND‐seiz from HCs.
A cross‐level analysis of organizational knowledge creation: How do transformational leaders interact with their subordinates' expertise and interpersonal relationships?
Authors: Jeong Shinhee
Published: December 2020

Drawing on organizational knowledge creation theory, this study examined the associations of organizational knowledge creation with employee expertise and quality of interpersonal relationships. It also examined the moderating roles of transformational leadership in explaining these relationships. Hierarchical linear modeling was performed to analyze multilevel data collected from 218 employees across 44 teams in diverse U.S. organizations. The study results indicated that employee expertise, quality of interpersonal relationships, and transformational leadership are positively associated with organizational knowledge creation. Unexpectedly, a negative moderating role of transformational leadership was found when explaining the relationship between organizational knowledge creation and quality of interpersonal relationships. It showed no moderating effect of transformational leadership in explaining the organizational knowledge creation and employee expertise relationship. The findings improve our understanding of organizational knowledge creation and enabling conditions and provide meaningful insights into the role of transformational leadership interacting with relationships in teams. The implications of these findings for research and practice are also discussed.
ESG investment: What do we learn from its interaction with stock, currency and commodity markets?
Authors: Andersson Emil , Hoque Mahim , Rahman Md Lutfur , Uddin Gazi Salah , Jayasekera Ranadeva
Published: December 2020

This paper examines ESG portfolio's causal relationship with conventional and ethical equity prices, exchange rates and commodity prices. Using multi‐scale wavelet decomposition, asset returns are decomposed into three timescales (short‐, medium‐ and long‐term), and a three‐step filtered framework is used to explore dynamic non‐linear linkages. We document significant bidirectional causal relationship between ESG, conventional and ethical equity portfolio returns. While the causality persists from the short‐ to medium‐term, it is relatively weaker in the long‐term. We further observe statistically significant causality running from ESG portfolio returns to currency and commodity returns. This causality is strongest in the short‐term, turns weaker in the medium‐term and, in some instances, disappears in the long‐term. These results are generally robust for the use of original returns and VAR‐filtered returns. However, as we control for conditional heteroskedasticity in the return series, the causality appears weaker particularly between ESG portfolio and commodity returns. Our results have important implications for planning portfolio allocation and devising hedging and diversification strategies.
Stock market development and nexus of market liquidity: The case of Fiji
Authors: Saliya Candauda Arachchige
Published: December 2020

The purpose of this paper is twofold: First, to explore the macroeconomic and institutional factors influencing stock market development (SMD) in Fiji during the period 1996–2018 and second, to explore the causes of the prolonged sluggish nature of the South Pacific Stock Exchange (SPX) in Fiji. A mixed‐method approach was employed: autoregressive distributed lag (ARDL) testing framework was used to estimate the influence of the structural determinants in Fiji while descriptive and narrative analysis was used to explain the status of the SPX. The study findings partially confirmed the findings of previous studies. The findings that economic growth promotes SMD while inflation is negatively correlated to SMD were consistent with previous findings. However, the finding that regulatory quality and banking sector development have negative impacts on SMD was contrary to the findings of previous studies. Many determinants, which have been shown to have significant impact on SMD in other studies, did not show any significant impact on the SPX in the Fijian context, particularly the stock market liquidity showed no correlation to SMD and not distributed normally. Exploration of the nexus of the market liquidity reveals that present regulatory conditions are not conducive for the stock market to be vibrant and suggests eliminating excessive paperwork and entry restrictions are critical, not only to attract new players to the market but also to increase trading volumes. We argue that the concentration of ownership and market disintegration resulted in the current sluggish status of the SPX.
Testing monotonicity of conditional treatment effects under regression discontinuity designs
Authors: Hsu Yu‐Chin , Shen Shu
Published: December 2020

Researchers are often interested in the relationship between treatment effects and observed individual heterogeneity. This paper proposes the first nonparametric monotonicity test for conditional treatment effects under the popular regression discontinuity framework. The proposed test examines whether the average treatment effect or the local average treatment effect has a monotonic relationship with some of the observed individual characteristics. We show consistency and asymptotic uniform size control of the proposed test, and apply the test to study treatment effect heterogeneity in two empirical settings.
Relationship between osteoid formation and iron deposition induced by chronic cadmium exposure in ovariectomized rats
Authors: Wako Yumi , Hiratsuka Hideaki , Kurotaki Tetsurou , Tsuchitani Minoru , Umemura Takashi
Published: December 2020

Itai‐itai (Japanese, “It hurts! It hurts!”) disease (IID), a form of osteomalacia, can be induced in ovariectomized rats by long‐term administration of cadmium (Cd). This IID rat model shows severe anemia, severe nephropathy, and osteomalacia accompanied by iron (Fe) deposition at the mineralization front. We characterized the pathogenesis of Cd‐induced bone lesions by investigating the relationship between Fe deposition and osteoid tissue formation in ovariectomized rats. The rats were injected with CdCl2 (0.5 mg/kg) for 70 weeks, with or without co‐injection of erythropoietin (EPO) for varying lengths of time to elucidate whether EPO prevents and/or cures anemia, and, with the restoration from anemia, lessens the osteoid tissue formation. Necropsies were performed at 25, 50, or 70 weeks. Fe deposition at the mineralization front of bone was found at 50 weeks and increased thereafter. Animals injected with EPO showed decreased Fe deposition, although there was no relation between EPO administration and osteoid formation in the femur. Because the increase in bone lesion severity was independent of the amount of Fe deposition, we suggest that Fe deposition is not involved in the etiology of Cd‐induced femoral bone lesions.
Tendon‐like tether formation for tongue‐base advancement in an ovine model using a novel implant device intended for the surgical management of obstructive sleep apnoea
Authors: Hendricks Rushdi , Hofmann Elena , Peres Jade , Prince Sharon , Hille Jos , Davies Neil H. , Bezuidenhout Deon
Published: December 2020

Obstructive sleep apnoea (OSA) is a serious debilitating condition with significant morbidity and mortality affecting almost one billion adults globally. The current gold standard in the non‐surgical management of airway collapse is continuous positive airway pressure (CPAP). However, non‐compliance leads to a high abandon rate (27–46%). While there are multiple sites of airway obstruction during sleep, the tongue base is recognized as the key player in the pathogenesis of OSA. Poor outcomes of current tongue suspension devices are due to fracture, slippage or migration of devices. Three tongue tethering device groups, namely a polydioxanone/polyurethane combination (PDO + PU) treatment group, a PDO analytical control group, and a polypropylene (PP) descriptive control group, were implanted into 22 sheep (75–85 kg) in a two‐phased study. After implant times of 8, 16, and 32 weeks, sheep were serially euthanized to allow for explantation of their tongues and chins. The PDO + PU devices remodeled during the 32‐week implant period into a hybrid biological tendon‐like tether through the process of gradual degradation of the PDO and collagen deposition as shown by electrophoresis, histology and mechanical testing. The control PDO device degraded completely after 32 weeks and the PP devices remained intact. The hybrid biological tendon‐like tether exhibited a break‐strength of 60 N, thus exceeding the maximum force to overcome upper airway collapse.
Fabrication of bioactive novel scaffold by solid‐state reaction sintering for bone regeneration
Authors: López Erika , Viatela Yrina , Prado Miguel , Biolatti Vanesa , Bagnatto Carolina
Published: December 2020

In this work we present a new type of scaffold obtained by solid‐state reaction, simultaneous sintering of a mixture of precursor oxides, carbonates, and organic substances, the latter used for pore generation. Having variable local composition, exhibits excellent overall physicochemical and bioactivity response. Open porosity is about 50%–60% and its permeability 10−11 m2. X‐ray diffraction exhibits the presence of a sodium‐calcium silicate and sodium‐calcium phosphate crystalline phases. Additionally, by mechanical compression tests the range of failure stress obtained for the scaffolds was 0.3–1.1 MPa. The bioactivity and dissolution rate of the scaffolds were evaluated by in vitro tests. After 1 week soaking in simulated body fluid, the formation of a continuous hydroxyapatite layer, which does not differentiate local compositions, was observed. Our results from cell culture tests clearly indicate that during hydroxyapatite layer formation, scaffolds do not liberate any cytotoxic substances. Moreover, cells seeded in the hydroxyapatite‐covered scaffolds grew better than the control.
Targeting H3K9 methyltransferase G9a and its related molecule GLP as a potential therapeutic strategy for cancer
Authors: Rahman Ziaur , Bazaz Mohd. Rabi , Devabattula Geetanjali , Khan Mohd. Abrar , Godugu Chandraiah
Published: December 2020

H3K9 methyltransferase (G9a) and its relevant molecule GLP are the SET domain proteins that specifically add mono, di and trimethyl groups on to the histone H3K9, which lead to the transcriptional inactivation of chromatin and reduce the expression of cancer suppressor genes, which trigger growth and progress of several cancer types. Various studies have demonstrated that overexpression of H3K9 methyltransferase G9a and GLP in different kinds of tumors, like lung, breast, bladder, colon, cervical, gastric, skin cancers, hepatocellular carcinoma and hematological malignancies. Several G9a and GLP inhibitors such as BIX‐01294, UNC0642, A‐366 and DCG066 were developed to combat various cancers; however, there is a need for more effective and less toxic compounds. The current molecular docking study suggested that the selected new compounds such as ninhydrin, naphthoquinone, cysteamine and disulfide cysteamine could be suitable molecules as a G9a and GLP inhibitors. Furthermore, detailed cell based and preclinical animal studies are required to confirm their properties. In the current review, we discussed the role of G9a and GLP mediated epigenetic regulation in the cancers. A thorough literature review was done related to G9a and GLP. The databases used extensively for retrieval of information were PubMed, Medline, Scopus and Science‐direct. Further, molecular docking was performed using Maestro Schrodinger version 9.2 software to investigate the binding profile of compounds with Human G9a HMT (PDB ID: 3FPD, 3RJW) and Human GLP MT (PDB ID: 6MBO, 6MBP).
Signal transducer and activator of transcription 3 mediates apoptosis inhibition through reducing mitochondrial ROS and activating Bcl‐2 in gemcitabine‐resistant lung cancer A549 cells
Authors: Liu Jian‐Sheng , Yeh Chun‐An , Huang I‐Chieh , Huang Guan‐Yu , Chiu Chih‐Hao , Mahalakshmi B. , Wen Su‐Ying , Huang Chih‐Yang , Kuo Wei‐Wen
Published: December 2020

Lung cancer is a leading cause of cancer‐related death worldwide. In this study, we used lung adenocarcinoma cells as a model, as lung adenocarcinoma has the highest mortality rate among all lung cancers. For the past few years, medical treatments or lung cancer have been limited because of chemotherapy resistance. Therefore, understanding the pathogenesis of the development of drug resistance in lung cancer is urgent. Gemcitabine is widely prescribed in the chemotherapeutic treatment of lung cancers. In this study, we developed gemcitabine‐resistant lung adenocarcinoma cells (A549‐GR) from the A549 cell line. The results showed that apoptotic protein expression and reactive oxygen species (ROS) generation were reduced in A549‐GR cells compared to A549 cells. Interestingly, we found that signal transducer and activator of transcription 3 (STAT3) translocated to the nucleus and mitochondria to affect the apoptotic pathway and ROS generation, respectively. Furthermore, treatment with STAT3 small interfering RNA diminished the increase in ROS production, proliferation and antiapoptotic proteins in A549‐GR cells. Taken together, the study demonstrated that STAT3 acts as an essential regulator and moderates apoptosis through two major mechanisms to induce gemcitabine resistance in cells; and these findings provide a potential target for the treatment of gemcitabine‐resistant lung cancer.
Natural history and optimal treatment strategy of intraductal papillary mucinous neoplasm of the pancreas: Analysis using a nomogram and Markov decision model
Authors: Han Youngmin , Jang Jin‐Young , Oh Moon Young , Kim Hyeong Seok , Byun Yoonhyeong , Kang Jae Seung , Kim Se Hyung , Lee Kyoung‐Bun , Kim Hongbeom , Kwon Wooil
Published: December 2020

Background/Purpose

With the increase in detection of intraductal papillary mucinous neoplasms (IPMN), a tailored approach is needed. This study was aimed at exploring the natural history of IPMN and suggest optimal treatment based on malignancy risk using a nomogram and Markov decision model.

Methods

Patients with IPMN who underwent surveillance or surgery were included. Changes in worrisome features/high‐risk stigmata and malignancy conversion rate were assessed. Life expectancy and quality‐adjusted life year (QALY) were compared using a nomogram predicting malignancy.

Results

Overall, 2006 patients with histologically confirmed or radiologically typical IPMN were enrolled. Of these, 1773 (88.4%), 81 (4.0%), and 152 (7.6%), respectively, had branch duct (BD)‐, main duct‐, and mixed‐type IPMN at initial diagnosis. The cumulative risk of developing worrisome feature or high‐risk stigmata was 19.0% and 35.0% at 5‐ and 10‐year follow‐up, respectively. The progression of malignancy rate at 10‐year follow‐up was 79.9% for main and mixed IPMNs and 5.9% for BD‐IPMN. Nomogram‐based malignancy risk prediction is well correlated with natural history based on pathologic biopsy and shows good stratification of survival. The decision model recommends surgery to maximize survival and QALY especially in those with >35% malignancy risk.

Conclusions

Compared with main duct‐ and mixed‐type IPMN, which have a high risk of malignancy (79.9%), BD‐IPMN is very indolent (5.9%). The nomogram‐based decision model suggests surgery rather than surveillance for patients with a high malignancy risk. The optimal treatment strategy between surgery and surveillance should consider patients' health status, malignancy risk, and centers' experience.
Comparison Between Diffusion‐Weighted MRI and 123I‐mIBG Uptake in Primary High‐Risk Neuroblastoma
Authors: Privitera Laura , Hales Patrick W. , Musleh Layla , Morris Elizabeth , Sizer Natalie , Barone Giuseppe , Humphries Paul , Cross Kate , Biassoni Lorenzo , Giuliani Stefano
Published: December 2020

Background

High‐risk neuroblastoma (HR‐NB) has a variable response to preoperative chemotherapy. It is not possible to differentiate viable vs. nonviable residual tumor before surgery.

Purpose

To explore the association between apparent diffusion coefficient (ADC) values from diffusion‐weighted magnetic resonance imaging (DW‐MRI), 123I‐meta‐iodobenzyl‐guanidine (123I‐mIBG) uptake, and histology before and after chemotherapy.

Study Type

Retrospective.

Subjects

Forty patients with HR‐NB.

Field Strength/Sequence

1.5T axial DW‐MRI (b = 0,1000 s/mm2) and T2‐weighted sequences. 123I‐mIBG scintigraphy planar imaging (all patients), with additional 123I‐mIBG single‐photon emission computed tomography / computerized tomography (SPECT/CT) imaging (15 patients).

Assessment

ADC maps and 123I‐mIBG SPECT/CT images were coregistered to the T2‐weighted images. 123I‐mIBG uptake was normalized with a tumor‐to‐liver count ratio (TLCR). Regions of interest (ROIs) for primary tumor volume and different intratumor subregions were drawn. The lower quartile ADC value (ADC25prc) was used over the entire tumor volume and the overall level of 123I‐mIBG uptake was graded into avidity groups.

Statistical Tests

Analysis of variance (ANOVA) and linear regression were used to compare ADC and MIBG values before and after treatment. Threshold values to classify tumors as viable/necrotic were obtained using ROC analysis of ADC and TLCR values.

Results

No significant difference in whole‐tumor ADC25prc values were found between different 123I‐mIBG avidity groups pre‐ (P = 0.31) or postchemotherapy (P = 0.35). In the “intratumor” analysis, 5/15 patients (prechemotherapy) and 0/14 patients (postchemotherapy) showed a significant correlation between ADC and TLCR values (P < 0.05). Increased tumor shrinkage was associated with lower pretreatment tumor ADC25prc values (P < 0.001); no association was found with pretreatment 123I‐mIBG avidity (P = 0.17). Completely nonviable tumors had significantly lower postchemotherapy ADC25prc values than tumors with >10% viable tumor (P < 0.05). Both pre‐ and posttreatment TLCR values were significantly higher in patients with >50% viable tumor than those with 10–50% viable tumor (P < 0.05).

Data Conclusion

123I‐mIBG avidity and ADC values are complementary noninvasive biomarkers of therapeutic response in HR‐NB.

Level of Evidence

4.

Technical Efficacy Stage

3.
Present and future changes in precipitation characteristics during Indian summer monsoon in CORDEX‐CORE simulations
Authors: Maharana Pyarimohan , Kumar Dhirendra , Das Sushant , Tiwari Pushp Raj
Published: December 2020

This work examines the changes in precipitation characteristics over the Indian region using the latest high‐resolution CORDEX‐CORE model simulations. Individual RCM (COSMO, RegCM4.7, and REMO) experiments, their ensembles, and all RCM ensembles are examined to evaluate their performance using various statistical metrics. It aims to provide a holistic idea for choosing better models for specific analysis (variability, climatology, temporal evolution, indices, etc.) of precipitation distribution over India. The COSMO model experiments show lesser mean bias and have a high correlation coefficient (>0.8) compared to REMO and RegCM4. Each RCM ensemble performs better than its members in representing the spatial patterns of precipitation. Interestingly, the RCM experiments downscaling the forcings from MPI_ESM GCMs and ERA‐Interim outperforms other RCM experiments in the present day period. The probability distribution function reflects that the mean frequency and the intensity of precipitation are best represented in the RegCM4 ensemble. Further, most RCMs agree to a robust increase in low‐intensity rainfall (>0.1–4 mm⋅day‑1) in the future under the RCP8.5 scenario. The intraseasonal variability in terms of active and break spells are best represented in the RegCM4 ensemble. There exists uncertainty in terms of projection of active phases, while all model experiments agree to the decrease in the break phases in the near future compared to the present day. The projected consecutive dry (wet) days and their spells will decrease (increase) over India. The heavy precipitation events are expected to increase (by 18–32 days) along with its contribution (by 14–48%) towards the total precipitation over entire India indicating a possible increase in flooding events in the future. The present‐day ISM characteristics is well captured in the model ensemble compared to individual experiments. The model ensemble indicates towards a robust increase in low‐intensity rainfall in the future. The very heavy precipitation events and its contribution towards total precipitation are increasing in the future.
A Metastudy of Journal of Employment Counseling: An Analysis of Publication Patterns From 2000 to 2019
Authors: Siegler Emily , Stafford Carly , Zhou Yi , Erford Bradley T. , Crockett Stephanie A.
Published: December 2020

Articles published in the Journal of Employment Counseling from 2000 to 2019 were analyzed for trends over time related to author characteristics (i.e., domicile, gender, work setting, and leading contributors and institutions) and article content (i.e., typology, topical issues, research methodology, characteristics of participants, research design, statistics used, report of effect size and sample reliability and validity).