bluuebunny/crossref_metadata_2025 huggingface dataset:
A preliminary study of natural environmental change and its impact on early Late Paleolithic people in the northeast central Korean Peninsula during Marine Istope Stage 3 (40–30k cal a bp)
Authors: Yi Sangheon , Han Chang‐Gyun , Oh Keun‐Chang , Seo In Sun , Kim Dongwook , Lee Jaeyoung , Han Min , Choi Hanwoo , Lim Jaesoo , Park Sujeong , Jun Chang‐Pyo , Cho Taesop
Published: September 2021

We comprehensively analyzed sediments obtained from an archeological excavation. A trench sediment profile of Maedun Cave (MC), South Korea, was analyzed geoarchaeologically. Multi‐proxy analyses (palynomorphs, grain size, magnetic susceptibility, animal bones and artifacts) reflected the vegetation, hydroclimate and lives of prehistoric people at Marine Isotope Stage (MIS) 3 (ca. 40–30k cal a bp) in the early Late Paleolithic. The palynoflora consisted of pollen and non‐pollen palynomorphs. Under the air‐circulation system in the cave, anemophilous pollen flowed in during the day, whereas waterborne pollen and spores, and freshwater algae, were transported by flooding during the summer monsoon rainy season. Mixed conifer and deciduous broad‐leaved forest with an understory of pteridophytes flourished around the north‐east central Korean Peninsula during MIS 3. Freshwater algae and grass pollen records may reflect precipitation intensity. It is assumed that they had flowed in during flooding caused by high precipitation during the enhanced East Asian summer monsoon, corresponding to Dansgaard–Oeschger (D/O) events 5 and 8 of δ18O GISP2 and Hulu Cave. The prehistoric people hunted herbivorous animals in the area around MC and sheltered inside it seasonally. They also used the grains of oats growing near the dwelling as a source of food.
Effects of solar park construction and solar panels on soil quality, microclimate, CO2 effluxes, and vegetation under a Mediterranean climate
Authors: Lambert Quentin , Bischoff Armin , Cueff Sixtine , Cluchier Alexandre , Gros Raphael
Published: September 2021

Solar energy is increasingly used to produce electricity in Europe, but the environmental impact of constructing and running solar parks (SP) is not yet well studied. Solar park construction requires partial vegetation removal and soil leveling. Additionally, solar panels may alter soil microclimate and functioning. In our study of three French Mediterranean solar parks, we analyzed:(1) effects of solar park construction on soil quality by comparing solar park soils with those of semi‐natural land cover types (pinewood and shrubland) and abandoned croplands (former vineyards); and (2) the effect of solar panels on soil microclimate, CO2 effluxes, and vegetation. We measured 21 soil properties of physical, chemical, and microbiological soil quality in one solar park and its surroundings to calculate integrated indicators of soil quality. We surveyed soil temperature and moisture, CO2 effluxes, and vegetation below and outside solar panels of three solar parks. Soil aggregate stability was reduced by SP construction resulting in a degradation of soil physical quality. Soil chemical quality and a general indicator of soil quality were lower in anthropogenic (SP and abandoned vineyards) than in semi‐natural (pinewood and shrubland) land cover types. However, differences between abandoned vineyards representing the preconstruction land cover type and solar parks were not significant. Solar panels reduced the soil temperature by 10% and soil CO2 effluxes by 50% but did not affect early successional plant communities. Long‐term monitoring is needed to evaluate the effects of solar panels on vegetation.
FOXD3 suppresses epithelial–mesenchymal transition through direct transcriptional promotion of SMAD7 in esophageal squamous cell carcinoma
Authors: Wu Zheng , Li Yan , Niu Yunfeng , Lu Juntao , Yan Zhaoyang , Xu Tongxin , Guo Yanli , Dong Zhiming , Guo Wei
Published: September 2021

The transcription factor forkhead box D3 (FOXD3) is an important member of the FOX family, which can maintain the pluripotent properties of cell clusters, neural crest, and trophoblastic progenitor cells in vivo. It has been shown that FOXD3 could affect proliferation, migration, and angiogenesis of various tumors and its deletion and overexpression in organisms will undoubtedly have important influence on the change of cell fate and the occurrence of tumors. However, the underlying functions and molecular mechanisms of FOXD3 in esophageal squamous cell carcinoma (ESCC) have not been fully clarified. According to the present study, the expression levels and functional roles of FOXD3 were investigated, and its prognostic value and molecular mechanisms in tumorigenesis and progression of ESCC were clarified. The expression level of FOXD3 was significantly downregulated in ESCC tissues and cell lines, and correlated with gender, family history of upper gastrointestinal cancer, TNM stage, depth of invasion, lymph node metastasis, and ESCC patients' survival. Moreover, FOXD3 inhibited cells migration and invasion as well as participated in TGF‐β1 induced epithelial–mesenchymal transition process. Furthermore, a positive correlation between FOXD3 and SMAD family member 7 (SMAD7) was explored in ESCC. FOXD3 could directly bind to promoter regions of SMAD7 gene, leading to transcriptional promotion of SMAD7 in human esophageal cancer cells. Taken together, FOXD3 may play a tumor suppressor role in ESCC and may be applied as a new therapeutic target and prognostic marker for ESCC.
Glucocerebrosidase Activity is not Associated with Parkinson's Disease Risk or Severity
Authors: Omer Nurit , Giladi Nir , Gurevich Tanya , Bar‐Shira Anat , Gana‐Weisz Mali , Glinka Tal , Goldstein Orly , Kestenbaum Meir , Cedarbaum Jesse M. , Mabrouk Omar S. , Fraser Kyle B. , Shirvan Julia C. , Orr‐Urtreger Avi , Mirelman Anat , Thaler Avner
Published: September 2021

Background

Mutations in theGBAgene, which encodes the lysosomal enzyme glucocerebrosidase (GCase), are risk factors for Parkinson's disease (PD).

Objective

To explore the association between GCase activity, PD phenotype, and probability for prodromal PD among carriers of mutations in theGBAandLRRK2genes.

Methods

Participants were genotyped for the G2019S‐LRRK2and nineGBAmutations common in Ashkenazi Jews. Performance‐based measures enabling the calculation of the Movement Disorder Society (MDS) prodromal probability score were collected.

Results

One hundred and seventy PD patients (102GBA‐PD, 38LRRK2‐PD, and 30 idiopathic PD) and 221 non‐manifesting carriers (NMC) (129GBA‐NMC, 45LRRK2‐NMC, 15GBA‐LRRK2‐NMC, and 32 healthy controls) participated in this study. GCase activity was lower amongGBA‐PD (3.15 ± 0.85 μmol/L/h),GBA‐NMC (3.23 ± 0.91 μmol/L/h), andGBA‐LRRK2‐NMC (3.20 ± 0.93 μmol/L/h) compared to the other groups of participants, with no correlation to clinical phenotype.

Conclusions

Low GCase activity does not explain the clinical phenotype or risk for prodromal PD in this cohort. © 2021 The Authors.Movement Disorderspublished by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society
Alteration of PPAR‐GAMMA (PPARG; PPARγ) and PTEN gene expression in acute myeloid leukemia patients and the promising anticancer effects of PPARγ stimulation using pioglitazone on AML cells
Authors: Esmaeili Shadi , Salari Sina , Kaveh Vahid , Ghaffari Seyed H. , Bashash Davood
Published: September 2021

Background

In the new era of tailored cancer treatment strategies, finding a molecule to regulate a wide range of intracellular functions is valuable. The unique property of nuclear receptor peroxisome proliferator‐activated receptor‐γ (PPARγ; PPARG) in transmitting the anti‐survival signals of the chemotherapeutic drugs has fired the enthusiasm into the application of this receptor in cancer treatment.

Objectives

We aimed to investigate the expression of PPARγ and one of its downstream targets PTEN in non‐M3 acute myeloid leukemia (AML) patients. We also investigated the therapeutic value of PPARγ stimulation using pioglitazone in the AML‐derived U937 cell line.

Methods

The blood samples from 30 patients diagnosed with non‐M3 AML as well as 10 healthy individuals were collected and the mRNA expression levels of PPARγ and PTEN were evaluated. Additionally, we used trypan blue assay, MTT assay, and flow cytometry analysis to evaluate the anti‐leukemic effects of pioglitazone on U937 cells.

Results

While PTEN was significantly downregulated in AML patients as compared to the control group, the expression of PPARγ was increased in the patients’ group. The expression level of PPARγ was also negatively correlated with PTEN; however, it was not statistically significant. Besides, PPARγ stimulation using pioglitazone reduced survival and proliferative capacity of U937 cells through inducing apoptosis and suppression of cell transition from the G1 phase of the cell cycle.

Conclusion

The results of the present study shed more light on the importance of PPARγ and its stimulation in the therapeutic strategies of AML.
Bifurcation analysis of a diffusive predator–prey model with prey social behavior and predator harvesting
Authors: Mezouaghi Abdelheq , Djilali Salih , Bentout Soufiane , Biroud Kheireddine
Published: September 2021

In this research, we investigate the influence of predator harvesting on the predator–prey interaction in the presence of prey social behavior using a reaction–diffusion system subject to the Neumann boundary conditions. It has been proved that the investigated model can undergo Hopf, Turing–Hopf bifurcation, which indicates the possibility of having a homogenous/nonhomogeneous periodic solution under some conditions on the model parameters. The stability of these periodic solutions is studied using the normal form on the center of the manifold theory. The obtained mathematical results are checked numerically.
Global existence, asymptotic behavior, and regularity of solutions for time–space fractional Rosenau equations
Authors: Fu Yongqiang , Zhang Xiaoju
Published: September 2021

In this paper, we investigate initial boundary value problems for the following time–space fractional Rosenau equation

with the Caputo time fractional derivatives and the spectral fractional Laplacian operators. To the best of our knowledge, there are few results concerning the time–space fractional Rosenau equations. The main difficulties are the nonlocal effects generated by the operators
and (− Δ)γ. First, we establish some rough and rigorous decay estimates of weak solutions to the corresponding linear equations, respectively. Based on the decay estimates, under small initial value condition, we prove the global existence and asymptotic behavior of weak solutions in the time‐weighted Sobolev spaces by the contraction mapping principle. Furthermore, we discuss the regularity of weak solutions when initial value data are strengthened from
to
.
FFT‐based homogenization with mixed uniform boundary conditions
Authors: Grimm‐Strele Hannes , Kabel Matthias
Published: September 2021

The fast Fourier transform (FFT) based homogenization method of Moulinec and Suquet has been established as a fast, accurate, and robust tool for periodic homogenization in solid mechanics. In a finite element context, Pahr and Zysset have introduced nonperiodic boundary conditions (PMUBC) for homogenization problems. We show how to implement PMUBC efficiently in an FFT‐based code using discrete sine and cosine transforms. Compared with the domain mirroring approach, we reduce the runtime by a factor of 2 to 3, and the memory requirements by a factor of 8. We show that the use of periodic boundary conditions for nonperiodic geometries yields vastly different results than with PMUBC. Furthermore, we examine the influence of the discretization method by comparing the staggered grid discretization with a finite element discretization.
Adropin and insulin resistance: Integration of endocrine, circadian, and stress signals regulating glucose metabolism
Authors: Butler Andrew A. , Havel Peter J.
Published: September 2021

Dysregulation of hepatic glucose production (HGP) and glucose disposal leads to hyperglycemia and type 2 diabetes. Hyperglycemia results from the declining ability of insulin to reduce HGP and increase glucose disposal, as well as inadequate ß‐cell compensation for insulin resistance. Hyperglucagonemia resulting from reduced suppression of glucagon secretion by insulin contributes to hyperglycemia by stimulating HGP. The actions of pancreatic hormones are normally complemented by peptides secreted by cells distributed throughout the body. This regulatory network has provided new therapeutics for obesity and type 2 diabetes (e.g., glucagon‐like peptide 1). Other peptide hormones under investigation show promise in preclinical studies. Recent experiments using mice and nonhuman primates indicate the small secreted peptide hormone adropin regulates glucose metabolism. Here, recent expression profiling data indicating hepatic adropin expression increases with oxidative stress and declines with fasting or in the presence of hepatic insulin resistance and how adropin interacts with the pancreatic hormones, insulin, and glucagon to modulate glycemic control are discussed.
Fabrication and characterization ofchitosan‐gelatin/single‐walledcarbon nanotubes electrospun composite scaffolds for cartilage tissue engineering applications
Authors: Bahrami Miyanji Parya , Semnani Dariush , Hossein Ravandi Abdolkarim , Karbasi Saeed , Fakhrali Aref , Mohammadi Sajjad
Published: September 2021

Cartilage is a connective tissue with a slow healing rate due to lack in blood circulation and slow metabolism. Designing tissue engineering scaffolds modified based on its specific features can assist its natural regeneration process. In this study, the chitosan‐gelatin/single‐walled carbon nanotubes functionalized by COOH (SWNTs‐COOH) nanocomposite scaffolds were fabricated through electrospinning. The effect of each component and different duration of cross‐linking were assessed in terms of morphology, porosity, chemical structure, thermal behavior, mechanical properties, wettability, biodegradability, and in vitro cell culture study. Adding SWNTs‐COOH decreased fiber diameter, water contact angle and degradation rate while increased tensile strength, hydrophilicity, stability and cell viability, due to their high intrinsic electrical conductivity, and mechanical properties and the presence of COOH functional groups in its structure. All the sample presented a porosity percentage of more than 80%, which is essential for tissue engineering scaffolds. The presence SWNTs‐COOH did not have any adverse effect on cytocompatibility. The optimal cross‐linking time increased the stability of the scaffolds in PBS. It can be concluded that the chitosan‐gelatin/1wt% SWNTs‐COOH scaffold can be appropriate for cartilage tissue engineering applications.
Treatment abandonment: A report from the collaborative African network for childhood cancer care and research—CANCaRe Africa
Authors: Chagaluka George , Afungchwi Glenn Mbah , Landman Lisa , Njuguna Festus , Hesseling Peter , Tchintseme Francine , Sung Lillian , Paintsil Vivian , Molyneux Elizabeth , Chitsike Inam , Israels Trijn
Published: September 2021

Background

‘Treatmentabandonment’ is a common and preventable cause of childhood cancer treatment failure in low‐ and middle‐income countries (LMIC). Risk factors and effective interventions in LMIC are reported. Poverty and costs of treatment are perceived as overriding causes in sub‐Saharan Africa. The objective of this study was to study potential determinants of treatment abandonment, including aspects of treatment costs in sub‐Saharan Africa, to be better informed for planned future interventions.

Methods

A multicentre, prospective, observational, cohort study was conducted in five hospitals in sub‐Saharan Africa. Children younger than 16 years with newly diagnosed cancer treated as inpatient with curative intent were included. The occurrence of treatment abandonment and potential determinants including aspects of treatment costs were documented during the first 3 months of treatment.

Results

We included 252 patients (median age 6.0, range 0.2–15.0 years, 54% male). The most common cancer was Burkitt lymphoma (63/252, 25%). Seven percent of patients (18 of 252) abandoned treatment. Two thirds (65%, 163/252) of patients had to borrow money to reach the hospital for the diagnosis and start of treatment. Treatment abandonment occurred more frequently in families who had to borrow money (16/163, 10%) versus those who did not (2/89, 2%; p = .026).

Conclusions

Limiting costs for families and improved counselling may reduce treatment abandonment. Development and implementation of interventions to reduce treatment abandonment are required in sub‐Saharan Africa.
Development of standard definitions and grading for Maternal and Fetal Adverse Event Terminology
Authors: Spencer Rebecca N. , Hecher Kurt , Norman Gill , Marsal Karel , Deprest Jan , Flake Alan , Figueras Francesc , Lees Christoph , Thornton Steve , Beach Kathleen , Powell Marcy , Crispi Fatima , Diemert Anke , Marlow Neil , Peebles Donald M. , Westgren Magnus , Gardiner Helena , Gratacos Eduard , Brodszki Jana , Batista Albert , Turier Helen , Patel Mehali , Power Beverley , Power James , Yaz Gillian , David Anna L.
Published: September 2021

Objective

Adverse event (AE) monitoring is central to assessing therapeutic safety. The lack of a comprehensive framework to define and grade maternal and fetal AEs in pregnancy trials severely limits understanding risks in pregnant women. We created AE terminology to improve safety monitoring for developing pregnancy drugs, devices and interventions.

Method

Existing severity grading for pregnant AEs and definitions/indicators of ‘severe’ and ‘life‐threatening’ conditions relevant to maternal and fetal clinical trials were identified through a literature search. An international multidisciplinary group identified and filled gaps in definitions and severity grading using Medical Dictionary for Regulatory Activities (MedDRA) terms and severity grading criteria based on Common Terminology Criteria for Adverse Event (CTCAE) generic structure. The draft criteria underwent two rounds of a modified Delphi process with international fetal therapy, obstetric, neonatal, industry experts, patients and patient representatives.

Results

Fetal AEs were defined as being diagnosable in utero with potential to harm the fetus, and were integrated into MedDRA. AE severity was graded independently for the pregnant woman and her fetus. Maternal (n = 12) and fetal (n = 19) AE definitions and severity grading criteria were developed and ratified by consensus.

Conclusions

This Maternal and Fetal AE Terminology version 1.0 allows systematic consistent AE assessment in pregnancy trials to improve safety.
Influence of the magnetic field on the alignment degree of the anisotropic strontium ferrites for elastomer bonded magnets
Authors: El Yaagoubi Mohammed , Haas Stefan , Schwegler Dietmar
Published: September 2021

In this work, the influence of the magnetic field on the alignment degree of the magnetic particles and on the magnetic energy flux of elastomer bonded magnets are investigated. For the investigations, a strontium ferrite filled nitrile butadiene rubber is used. The change of magnetic flux density in the injection molding tool cavity was realized by changing the current at the rectifier. The alignment degree of the magnetic particles increases with increasing magnetic field in the injection molding tool cavity. Above a certain current strength, a saturation behavior of the alignment degree of the magnetic particles and the magnetic energy flux is reached. The change of the cavity magnetic field leads to an improvement of the pole angle error up to a current of 10 A. An increase of the current above 10 A leads to hardly any improvement of the pole angle error, since a saturation in the alignment of the magnetic particles has already been reached.
Structural evolution of mesomorphic propylene–1‐butene random copolymer during heating process
Authors: Qian Chengao , Zhao Ying , Wang Dujin
Published: September 2021

The study of the transition of mesophase to α‐crystal (meso–α transition) is of great significance for understanding the crystallization, morphology as well as processability of polypropylene materials. The structural evolution of mesomorphic isotactic propylene–1‐butene (iPPBu) random copolymer during the continuous heating process was investigated using in situ Fourier transform infrared spectroscopy, differential scanning calorimetry, wide‐angle X‐ray diffraction and dynamic mechanical analysis. The presence of the butene comonomer influences the meso–α transition behavior. Compared with the mesomorphic iPP homopolymer, the presence of butene comonomer reduces both onset temperature (Tonset) and end temperature (Tend) of the meso–α transition, and narrows the transition temperature range. The content of the 31 helical sequence with 12 monomers remains invariant during the meso–α transition, differing from that of mesomorphic iPP homopolymer. Similar to mesomorphic iPP homopolymer, the 31 helical sequence with monomer number n ≤ 12 is found to exist in the rigid amorphous fraction of iPPBu, but is different from that of a mesomorphic propylene–ethylene random copolymer. In the meso–α transition (from 60 to 100 °C), the redshift of the peak position of the band at ca 841 cm−1 provides new information for the approaching of adjacent stems at the molecular level. Moreover, a new peak at around Tend is found in the tan(δ)–T plot, and is correlated with the meso–α transition. The activation energy of the meso–α transition of mesomorphic iPPBu is 32.5 kJ mol−1, which is slightly lower than that of mesomorphic iPP homopolymer. This work sheds new light on further understanding of the meso–α transition mechanism of iPPBu copolymer at the molecular level and elucidates the effect of butene comonomer on the meso–α transition. © 2021 Society of Industrial Chemistry.
Registration of CA 4008 cotton germplasm line
Authors: Dever Jane , Kelly Carol , Morgan Valerie
Published: September 2021

Enhancing genetic diversity to breed cotton (Gossypium hirsutum L.) for water‐limited production in the Texas High Plains is one objective of the Texas A&M AgriLife Research breeding program in Lubbock. CA 4008 (Reg. no. GP‐1099, PI 698821) was derived from TX 307 (PI 165390) and 07‐A‐05, an unreleased breeding line. TX 307, wild material of species Gossypium hirsutum, was used as a parent based on performance in hydroponic salinity characterization of 290 accessions conducted at Texas A&M AgriLife Research in Lubbock from 2006 to 2009. Performance testing for yield, fiber quality, and other agronomic properties was conducted at six site‐years from 2014 to 2017 with check cultivars ‘FM 958’ (PI 619096), a high‐yield and fiber quality regional standard, and ‘DP 491’ (PI 618609), which historically produced good yield and quality under water stress in the Texas High Plains. CA 4008 produced similar yield and fiber quality, lower lint percentage, and taller plants across site‐years compared with checks. CA 4008 was tested at 11 locations across the United States in the 2017 Regional Breeder Testing Network and showed low leaf defoliation under Verticillium wilt pressure. In previous studies, CA 4008 had less germination reduction under salinity than 27 of 31 Texas A&M AgriLife Research in Lubbock lines but equal to cultivar ‘FM 989’ (PI 603956). CA 4008 had less root dry weight reduction under salinity in hydroponic studies but equal to FM 989 in shoot and leaves dry weight reduction. CA 4008 is adapted to Texas High Plains stress conditions developed from a wild accession.
Associations of death‐preparedness states with bereavement outcomes for family caregivers of terminally ill cancer patients
Authors: Wen Fur‐Hsing , Chou Wen‐Chi , Hou Ming‐Mo , Su Po‐Jung , Shen Wen‐Chi , Chen Jen‐Shi , Chang Wen‐Cheng , Hsu Mei Huang , Tang Siew Tzuh
Published: September 2021

Objective

Death preparedness involves cognitive prognostic awareness and emotional acceptance of a relative's death. Effects of retrospectively assessed cognitive prognostic awareness and emotional preparedness for patient death have been individually investigated among bereaved family caregivers. We aimed to prospectively examine associations of caregivers' death‐preparedness states, determined by conjoint cognitive prognostic awareness and emotional preparedness for death, with bereavement outcomes.

Methods

Associations of caregivers' death‐preparedness states (no‐death‐preparedness, cognitive‐death‐preparedness‐only, emotional‐death‐preparedness‐only, and sufficient‐death‐preparedness states) at last preloss assessment with bereavement outcomes over the first two bereavement years were evaluated among 332 caregivers of advanced cancer patients using hierarchical linear models with the logit‐transformed posterior probability for each death‐preparedness state.

Results

Caregivers with a higher logit‐transformed posterior probability for sufficient death‐preparedness state reported less prolonged‐grief symptoms, lower likelihoods of severe depressive symptoms and heightened decisional regret, and better mental health‐related quality of life (HRQOL). Caregivers with a higher logit‐transformed posterior probability for no‐death‐preparedness state reported less prolonged‐grief symptoms, a lower likelihood of severe depressive symptoms, and better mental HRQOL. A higher logit‐transformed posterior probability for cognitive‐death‐preparedness‐only state was associated with bereaved caregivers' higher likelihood of heightened decisional regret, whereas that for emotional‐death‐preparedness‐only state was not associated with caregivers' bereavement outcomes.

Conclusions

Caregivers' bereavement outcomes were associated with their preloss death‐preparedness states, except for physical health‐related QOL. Interventions focused on not only cultivating caregivers' accurate prognostic awareness but also adequately preparing them emotionally for their relative's forthcoming death are actionable opportunities for high‐quality end‐of‐life care and are urgently warranted to facilitate caregivers' bereavement adjustment.
Theoretical Insight into 20‐Electron Transition Metal Complexes (C5H5)2TM(E1E2)2 (TM = Cr, Mo, W; E1E2 = CO, N2, BF): Stabilities, Electronic Structures, and Bonding Nature
Authors: Xu Song , Li Mengyang , Pei Gerui , Zhao Xintian , Xu Jianzhi , Kong Chuncai , Yang Zhimao , Yang Tao
Published: September 2021

A systematic first‐principles study is performed to investigate the 20‐electron transition metal complexes (C5H5)2TM(E1E2)2 (TM = Cr, Mo, W; E1E2 = CO, N2, BF). For the thermodynamic stable (C5H5)2TM(E1E2)2 complexes (TM = Cr, Mo, W; E1E2 = CO, BF), their 20‐electron nature is derived from their occupied nonbonding molecular orbital mainly donated by ligands. Furthermore, the nature of the TME1 bond is thoroughly analyzed by the energy decomposition analysis (EDA) method. The absolute value of interaction energies (|ΔEint|) between (C5H5)2TM(E1E2) and E1E2 has the same trend as the corresponding bond dissociation energy and Wiberg bond orders of TME1 bonds, following the order W > Mo > Cr with same ligands and BF > CO with same TM. The largest contribution to the ΔEint values is the repulsive term ΔEPauli. Similar contributions from covalent and electrostatic terms to the TME1 bonds are found, which can be described as the classic dative bond with nearly same σ and π contributions.
Native electrospray ionization mass spectrometry combined with molecular docking for the characterization of ginsenoside–myoglobin interactions
Authors: Zhao Fengjiao , Du Yang , Zheng Zhong , Cui Meng , Liu Zhiqiang
Published: September 2021

Rationale

The interactions between proteins and ligands are involved in many biological processes and early stages of drug development. Native electrospray ionization mass spectrometry (native ESI‐MS) has played an important role in the characterization of protein–ligand interactions. Herein, native ESI‐MS combined with molecular docking was used for the characterization of ginsenoside–myoglobin (Mb) interactions.

Methods

The binding of ginsenosides (Rb3, Rc, Rd, Re) to Mb was determined by native ESI‐MS. Titration experiments were performed for the calculation of the dissociation constants (Kd) of the complexes. Molecular docking was used to simulate the binding of ginsenosides with Mb by AutoDock.

Results

The ginsenoside–Mb complex with stoichiometric ratio 1:1 was observed by native ESI‐MS. The Kd values determined by the direct calculation method were matched with those obtained by the curve fitting method. However, the relative standard deviations (RSDs) obtained by direct calculation were larger than those obtained by curve fitting. From the molecular docking, it was inferred that hydrophobic interactions, hydrogen bonding and Van der Waals forces participate in the binding of ginsenosides to proteins.

Conclusions

The ginsenoside–Mb interactions can be characterized by ESI‐MS combined with molecular docking. This approach can be helpful to investigate the interactions between natural drugs and proteins in various diseases.
Delayed local reaction at a previous injection site reaction with dupilumab
Authors: Sumi Toshiyuki , Nagahisa Yuta , Matsuura Keigo , Sekikawa Motoki , Yamada Yuichi , Nakata Hisashi , Chiba Hirofumi
Published: September 2021

Key message

Clinicians should be aware that biologic agents, which include polysorbates, can cause delayed local skin reactions at a previous injection site.
Design of a dexterous robotic surgical instrument with a novel bending mechanism
Authors: Yang Yingkan , Li Jianmin , Kong Kang , Wang Shuxin
Published: September 2021

Background

The robot‐assisted minimally invasive surgery (RMIS) has developed rapidly in recent years, requiring highly articulated instruments to enable surgeons to perform complicated and precise procedures.

Methods

A novel wrist‐type surgical instrument was proposed for RMIS. The wrist consists of superelastic‐wire‐driven snake‐like joints and universal joints, which could perform two deflections and one distal rotation. The bending mechanism and the kinematics of universal joints were analysed. The forward and inverse kinematics of the wrist were derived.

Results

The performances of the instrument were evaluated using a prototype by experiments. The average motion deviation of the wrist's deflection was 0.15 ± 0.08 mm, and the maximum deviation was 0.52 mm. The maximum payload capability was 10 N. The suture task and ex vivo procedure verified the effectiveness of the instrument.

Conclusions

The proposed instrument has high dexterity and payload capability, which contributes to improving the quality of the RMIS procedures.
Design, development, and field evaluation of a rubber tapping robot
Authors: Zhou Hang , Zhang Shunlu , Zhang Junxiong , Zhang Chunlong , Wang Song , Zhai Yihao , Li Wei
Published: September 2021

Modern robotics has made great strides in the field of agricultural harvesting. In the field of rubber tapping, however, there are still significant challenges to be faced. As one of the few agricultural harvesting areas primarily manual, rubber tapping requires precise control of the knife in the forest's unstructured environment at night. This paper presents the design of a rubber cutting robot for natural rubber plantations. An upgraded spatial spiral trajectory is established by analyzing the trunk and manual rubber cutting trajectories for the operation of a six‐axis tandem robot arm. A compact binocular stereo vision system achieved the initial perception of the parameters required for the cutting trajectory. Besides, an integrated end‐effector was developed to enable further precise perception of the cutting trajectory and cutting operations. The system was tested in the field at a rubber plantation in Hainan Province. The upgraded trajectory's adaptability and the accuracy and efficiency of the starting point positioning algorithm were verified. The operational performance of the complete system was evaluated to help guide future improvements. The error of the start point locating is 1.0  0.1 mm, and the execution time is 17.01  3.65 s. The bark consumption—cutting depth setting of (2.0 and 5.0 mm) is more appropriate for the rubber tapping robot. Then the accuracy of chip thickness and chip width is about 1.73  0.28 mm, and 5.07  0.13 mm, respectively. Furthermore, the accuracy of chip weight is 1.99  0.24 mm. The average operating time of the whole tapping operation is 80  5 s. Future work will include improvements in system stiffness and robustness. This study demonstrates the potential of applying industrial robotics to the field of latex harvesting. Robotics may be a future development towards mechanized rubber tapping.
Conversion and contagion in entrepreneurship: A cross‐country analysis
Authors: Bade Marco
Published: September 2021

Research Summary

Consistent with the theories of planned behavior and social contagion, this study is based on the notion that entrepreneurial intentions affect entrepreneurial behavior (“conversion channel”), which in turn affects others' intentions (“contagion channel”). GMM estimation results of a simultaneous equation model suggest that entrepreneurial intentions and new business ownership are reciprocally related. The conversion channel appears to be the stronger force in the relationship. Additional moderator analyses suggest that environmental munificence, as expressed by regulatory quality, advanced stage of the economy, and economic growth strengthen, whereas the GDP level weakens the relationship. Furthermore, entrepreneurial perceptions, exits, and knowing other entrepreneurs promote the conversion channel but mitigate the contagion channel. These findings yield implications relevant for research and policy makers.

Managerial Summary

A positive feedback loop in the economy is a situation where two events reinforce each other. In such situation, small and random changes in the economy, such as policy changes or economic shocks, are magnified. This study shows that there is a positive feedback loop in entrepreneurship between entrepreneurial intentions and behavior: individuals' entrepreneurial intention determines actual entrepreneurial behavior, which in turn encourages others to develop entrepreneurial intentions. The positive feedback loop is strengthened by environmental munificence, weakened by living standards, and ambiguously affected by entrepreneurial perceptions, experience, and networks. These findings deepen our understanding of how startup hotspots emerge, emphasize the importance of accounting for structural influences, and contribute to the discussion on cross‐country variation in entrepreneurial activity.
Investigation of glassy phase silica in low calcium content fly ash by X‐ray photoelectron spectroscopy
Authors: Singh Siddharth , Maiti Soumitra
Published: September 2021

The present study investigates the glassy and crystalline phases of silica content in different fly ash sources by X‐ray photoelectron spectroscopy (XPS). The X‐ray diffraction (XRD) patterns of fly ash show the existence of crystalline quartz, aluminosilicate, and hematite phases. Other minor phases viz., CaO, TiO2, and K2O have also been identified in the fly ash samples. The signature of glassy phase (amorphous content) of silica is identified by a hump over the 2θ range of 20–30° in X‐ray diffraction pattern. A detailed study of amorphous and crystalline silica, aluminosilicate, ferric oxide, and calcium oxide is done by XPS. Quantitative analysis of Si 2p spectra of both fly ash samples shows amorphous content of SiO2 in the range of 10–40 atomic percent. Other phases, namely, mullite (24–65 at.%), alumina (35–75 at.%), and crystalline SiO2 (60–90 at.%) have also been found in both the fly ash samples.
Effect of COF Presence on DNA Molecular Interactions: A QM/MM and MD Simulations Study
Authors: Ghadari Rahim , Mohsenzadeh Enayat
Published: September 2021

Four models of DNA including A‐DNA, B‐DNA, Triple helix‐DNA (T‐DNA), and Z‐DNA along with a COF molecule were prepared. Molecular dynamics simulations were performed on all DNAs and their complex with COF (embedded DNAs in the central hole of COF). Comprehensive analyses such as Base pair distance, hydrogen bonding, Van der Waals, and electrostatic interaction numbers were carried out to investigate the effect of COF molecule on DNA intermolecular interactions. Furthermore, quantum‐mechanics studies were performed to explore the accuracy of intermolecular and intramolecular interactions. The results obtained based on promolecular density in two selected base pairs. Noncovalent interaction (NCI) analysis to investigate the strength of hydrogen bonds, Van der Waals interactions, and steric effect was done. Density Overlap Regions Indicator (DORI) analysis was accomplished to study the accuracy of π‐π stacking interactions between adjacent bases. δg functions were evaluated to analyze the strength of chemical bonds, hydrogen bonds and also the steric effect. The average distance between O…H, N…H, and H…O that are contributing in H‐bonding are ∼1.88, 1.97, and 1.95 Å in A‐DNA, respectively. Also, the average number of H‐bonding numbers in A‐DNA calculated to be 14.43 and 13.04 in pure and complex form. All the achieved results showed that designed COF did not make any changes in DNA structures, but in some cases, had some effects on the interactions of DNAs.
Electrochemistry of Thin Films with In Situ/Operando Grazing Incidence X‐Ray Scattering: Bypassing Electrolyte Scattering for High Fidelity Time Resolved Studies
Authors: Paulsen Bryan D. , Giovannitti Alexander , Wu Ruiheng , Strzalka Joseph , Zhang Qingteng , Rivnay Jonathan , Takacs Christopher J.
Published: September 2021

Electroactive polymer thin films undergo repeated reversible structural change during operation in electrochemical applications. While synchrotron X‐ray scattering is powerful for the characterization of stand‐alone and ex situ organic thin films, in situ/operando structural characterization has been underutilized—in large part due to complications arising from supporting electrolyte scattering. This has greatly hampered the development of application relevant structure property relationships. Therefore, a new methodology for in situ/operando X‐ray characterization that separates the incident and scattered X‐ray beam path from the electrolyte is developed. As a proof of concept, the operando structural characterization of weakly‐scattering, organic mixed conducting thin films in an aqueous electrolyte environment is demonstrated, accessing previously unexplored changes in the π‐π peak and diffuse scatter, while capturing the solvent swollen thin film structure which is inaccessible in previous ex situ studies. These in situ/operando measurements improve the sensitivity to structural changes, capturing minute changes not possible ex situ, and have multimodal potential such as combined Raman measurements that also serve to validate the true in situ/operando conditions of the cell. Finally, new directions enabled by this in situ/operando cell design are examined and state of the art measurements are compared.
Numerical Estimation of Hearth Internal Geometry of an Industrial Blast Furnace
Authors: Zhang Chengbo , Zhao Chenxi , Shao Lei , Saxén Henrik , Qu Yingxia , Zou Zongshu
Published: September 2021

Since the campaign of a modern blast furnace (BF) is usually restricted by its hearth integrity, monitoring the hearth internal geometry is of crucial importance for strategic operation planning. To provide an overall picture of the hearth inner geometry of a large‐scale BF in Chinese steelworks, a wear model based on the solution of an inverse heat conduction problem is developed. Using the wear model, the evolutions of erosion and skull lines in the hearth are tracked for the period from the blow‐in of the BF to its present state. The main findings are outlined herein, where a detailed analysis and discussion of some observations are made to gain a deep understanding of the internal state of the hearth. A correlation between the thickness of the estimated skull layer and taphole length is demonstrated. The results indicate that the skull layer in the bottom of the BF hearth is much thicker than that in the sidewall and that lining erosion of the hearth mainly occurs in the sidewall. In addition, a thicker skull layer preventing the sidewall from excessive lining erosion correlates well with a longer taphole.
Phylogeny, character evolution and taxonomic revision of Causonis, a segregate genus from Cayratia (Vitaceae)
Authors: Parmar Gaurav , Dang Viet‐Cuong , Rabarijaona Romer Narindra , Chen Zhi‐Duan , Jackes Betsy R. , Barrett Russell L. , Zhang Zhu‐Zhi , Niu Yan‐Ting , Trias‐Blasi Anna , Wen Jun , Lu Li‐Min
Published: September 2021

Causonis (Vitaceae) is widely distributed in the tropical, sub‐tropical and temperate regions from Asia to Australia. The genus was established by Rafinesque in 1830 but included under Cayratia by Gagnepain in 1911. Generic status of Causonis was restored in 2013, but circumscription of the genus and its species remained poorly understood. Here, we sample 92 accessions of Causonis to reconstruct the phylogenetic relationships within the genus using four chloroplast loci (atpB‐rbcL, trnC‐petN, trnH‐psbA, trnL‐F) and three nuclear loci (AS1, At103, ITS). Both the chloroplast and nuclear data support the monophyly of Causonis, and relationships among major clades of the genus are well‐supported based on the chloroplast data. The first diverged clade consists of two species both endemic to Australasia. Evolutionary trends of eight morphological characters are tested through ancestral character state reconstruction using the chloroplast dataset. We recognize 16 species and 4 varieties in Causonis, including two new species: C. australasica sp. nov. and C. glauca sp. nov. We herein make 10 new combinations for eight species and two varieties. The widespread Causonis japonica is also redefined based on morphological and molecular evidence.
Aging Sambar (Rusa unicolor) Using Cementum Annuli and Eruption and Wear: Implications for Predicting Populations
Authors: Watter Kurt , Thomas Elaine , White Neil , Finch Neal , Murray Peter J.
Published: September 2021

Sambar (Rusa unicolor), one of 6 deer species introduced to Australia, are poorly studied and declared vulnerable in their native range of India and southern Asia. In southeastern Australia sambar are increasing in abundance and distribution despite commercial venison harvest and unlimited public hunting. The ability to accurately age individuals is important for management of cervid populations because many life history events are age dependent. The techniques most widely used to estimate the age of cervids involve tooth eruption and molar wear (EW), and interpretation of cementum annuli (CA) in incisors. Aging techniques based on teeth are influenced by diet, body condition and metabolic stressors such as disease and reproduction. We compared age estimation derived by both EW and CA techniques and applied age estimates from both methods to lifetables and the Euler‐Lotka equation to predict population growth. Sambar have CA that are discernible and correspond to midwinter despite calving throughout the year in a temperate environment. Age estimation by eruption times of molar teeth appears reliable in sambar but estimation based on wear patterns of molar teeth is less accurate than CA. Assuming CA is accurate, aging by EW was less than 30% for sambar 3 years and older. For management purposes, however, estimation of rates of population growth using either the Euler‐Lotka equation or a lifetable provided similar outputs using ages estimated by either CA or EW. © 2021 The Wildlife Society.
Scaup Depredation on Arkansas Baitfish and Sportfish Aquaculture
Authors: Clements Stephen A. , Dorr Brian S. , Davis J. Brian , Roy Luke A. , Engle Carole R. , Hanson‐Dorr Katie C. , Kelly Anita M.
Published: September 2021

Lesser scaup (Aythya affinis) and greater scaup (A. marila), hereafter scaup, consume a variety of aquatic invertebrates, plants, and occasionally small fish. Scaup have foraged on commercial aquaculture farms in the southern United States for decades. However, the types, abundance, and rate of fish exploitation by scaup on baitfish and sportfish farms are not well documented. Thus, information is needed to understand how fish and other foods influence scaup use of aquatic resources, and any potential economic effects of depredation of fish. From November–March in winters 2016–2017 and 2017–2018, we conducted 1,458 pond surveys to estimate the abundance and distribution of scaup on Arkansas baitfish and sportfish farms that commercially produce species such as golden shiners (Notemigonus crysoleucas), fathead minnows (Pimephales promelas), goldfish (Carassius auratus), and sunfish (Lepomisspp.). We also collected and processed 531 foraging scaup and quantified the proportion of scaup consuming fish and the proportion of their diet obtained from fish. Fish consumption was highly variable between years. In our survey area, we estimated total fish consumption at 1,400 kg and 60,500 kg for winters 2016–2017 and 2017–2018, respectively. Sunfish ponds experienced the maximum loss (18,000 fish/ha) during winter 2017–2018, while goldfish ponds experienced a loss of just 2,600 fish/ha during the same winter. The estimates of baitfish and sportfish loss to scaup revealed potential management strategies for minimizing fish loss and can inform economic analysis of the financial impact of scaup on producers. © 2021 The Wildlife Society.
Acoustic Emission
Authors: Aggelis Dimitrios G. , Sause Markus G. R. , Packo Pawel , Pullin Rhys , Grigg Steve , Kek Tomaž , Lai Yu-Kun
Published: September 2021

Acoustic emission (AE) is one of the most promising methods for structural health monitoring (SHM) of materials and structures. Because of its passive and non-invasive nature, it can be used during the operation of a structure and supply information that cannot be collected in real time through other techniques. It is based on the recording and study of the elastic waves that are excited by irreversible processes, such as crack nucleation and propagation. These signals are sensed by transducers and are transformed into electric waveforms that offer information on the location and the type of the source. This chapter intends to present the basic principles, the equipment, and the recent trends and applications in aeronautics, highlighting the role of AE in modern non-destructive testing and SHM. The literature in the field is vast; therefore, although the included references provide an idea of the basics and the contemporary interest and level of research and practice, they are just a fraction of the total possible list of worthy studies published in the recent years.
Preprocessing to Reduce the Search Space: Antler Structures for Feedback Vertex Set
Authors: Donkers Huib , Jansen Bart M. P.
Published: September 2021

The goal of this paper is to open up a new research direction aimed at understanding the power of preprocessing in speeding up algorithms that solve NP-hard problems exactly. We explore this direction for the classic Feedback Vertex Set problem on undirected graphs, leading to a new type of graph structure called antler decomposition, which identifies vertices that belong to an optimal solution. It is an analogue of the celebrated crown decomposition which has been used for Vertex Cover. We develop the graph structure theory around such decompositions and develop fixed-parameter tractable algorithms to find them, parameterized by the number of vertices for which they witness presence in an optimal solution. This reduces the search space of fixed-parameter tractable algorithms parameterized by the solution size that solve Feedback Vertex Set.