bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of inactivated nature‐derived microbial composition on mouse immune system
Authors: González‐Rodríguez Martín Ignacio , Nurminen Noora , Kummola Laura , Laitinen Olli H. , Oikarinen Sami , Parajuli Anirudra , Salomaa Tanja , Mäkelä Iida , Roslund Marja I. , Sinkkonen Aki , Hyöty Heikki , Junttila Ilkka S. ,   for the ADELE Research Group
Published: December 2021

Introduction

The hygiene hypothesis suggests that decrease in early life infections due to increased societal‐level hygiene standards subjects one to allergic and autoimmune diseases. In this report, we have studied the effect of sterilized forest soil and plant‐based material on mouse immune system and gut microbiome.

Methods

Inbred C57Bl/6 mice maintained in normal sterile environment were subjected to autoclaved forest soil‐derived powder in their bedding for 1 h a day for 3 weeks. Immune response was measured by immune cell flow cytometry, serum cytokine enzyme‐linked immunoassay (ELISA) and quantitative polymerase chain reaction (qPCR) analysis. Furthermore, the mouse gut microbiome was analyzed by sequencing.

Results

When compared to control mice, mice treated with soil‐derived powder had decreased level of pro‐inflammatory cytokines namely interleukin (IL)−17F and IL‐21 in the serum. Furthermore, splenocytes from mice treated with soil‐derived powder expressed less IL‐1b, IL‐5, IL‐6, IL‐13, and tumor necrosis factor (TNF) upon cell activation. Gut microbiome appeared to be stabilized by the treatment.

Conclusions

These results provide insights on the effect of biodiversity on murine immune system in sterile environment. Subjecting mice to soil‐based plant and microbe structures appears to elicit immune response that could be beneficial, for example, in type 2 inflammation‐related diseases, that is, allergic diseases.
Quantum Crystallography:N‐Representability Big and Small**
Authors: Matta Chérif F. , Huang Lulu , Massa Lou
Published: December 2021

Linus Pauling contributions span structural biology, chemistry in its broadest definition, quantum mechanical theory, valence bond theory, and even nuclear physics. A principal tool developed and used by Pauling is X‐ray (and electron) diffraction. One possible extension of Pauling's oeuvre could be the “marriage” of crystallography and quantum mechanics. Such an effort dates back to the sixties and has now flourished into an entire subfield termed “Quantum Crystallography”. Quantum Crystallography could be achieved through the application of Clinton equations to yieldN‐representable density matrices consistent with experimental data. The implementation of the Clinton equations is qualitatively different for small and for large systems. For a small system, quantum mechanics isextractedfrom X‐ray data while for a large system, the quantum mechanics isinjectedinto the system. In both cases,N‐representability is imposed by the use of the Clinton equations.
The use of in vitro methods in assessing human health risks associated with short‐chain perfluoroalkyl and polyfluoroalkyl substances (PFAS)
Authors: Solan Megan E. , Lavado Ramon
Published: December 2021

Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are a large class of industrial chemicals with a ubiquitous and persistent presence in the environment. Of the thousands of PFAS used by consumers and industry, very few have been thoroughly characterized for potential adverse effects. This is especially true for the novel short‐chain (C < 8) alternatives that replaced legacy PFAS. Perfluoroalkyl and polyfluoroalkyl substances have revealed inconsistencies in the toxicokinetics predicted by animal models and empirical findings in humans. To adequately assess the possible health effects of short‐chain PFAS, there is a need for robust aggregated data sets on the mechanistic underpinnings and physiochemical properties of these alternatives. Acquiring relevant data on the health effects of short‐chain PFAS can be achieved through high‐throughput methods supported by in vitro human cell‐based models. This review briefly summarizes some of the toxicity data obtained using human cells in vitro, discusses the advantages and limitations of cell‐based models, and provides insights on potential solutions to challenges presented with the use of these methods for use in safety assessments.
Effects of a novel self‐assembling peptide scaffold on bone regeneration and controlled release of two growth factors
Authors: Tian Hongchuan , Guo Ai , Li Kai , Tao Bailong , Lei Dengliang , Deng Zhongliang
Published: December 2021

RADA16 is a self‐assembling peptide material with good bioactivity. To improve the bioactivity of a material, some specific functional motifs can be added to its peptide sequence. Here, we report a self‐assembling peptide nanogel, RADA16‐RGD, that has better bioactivity than RADA16 and can simultaneously carry and control the release of two growth factors, VEGF and BMP‐2, which have synergistic effects on bone formation. The peptide materials were characterized by transmission electron microscopy and scanning electron microscopy. The mechanical properties of the peptides were evaluated by the rheology test. The biocompatibility of the materials was evaluated via the use of the CCK‐8 test, live/dead staining and confocal laser scanning microscopy. Osteogenesis capability in vitro was evaluated by means of ALP staining, extracellular matrix mineralization and detection of osteogenic markers. The controlled release of growth factors was examined by ELISA. The results showed that RADA16‐RGD exhibited a better ability than RADA16 to promote cell proliferation, adhesion and bone formation. In addition, RADA16‐RGD had good biocompatibility and exhibited effective controlled release of VEGF and BMP‐2. More importantly, compared with RADA16‐RGD loaded with single growth factor or without growth factors, RADA16‐RGD loaded with two growth factors exhibited a stronger ability to promote cell proliferation and osteogenesis. This study provides a promising strategy for the application of self‐assembling peptides to promote osteogenesis and controlled release of proteins.
In vivo evaluation of 3D printed polycaprolactone composite scaffold and recombinant human bone morphogenetic protein‐2 for vertical bone augmentation with simultaneous implant placement on rabbit calvaria
Authors: Chang Yun‐Young , Lee SaYa , Jeong Hun‐Jin , Cho Young‐Sam , Lee Seung‐Jae , Yun Jeong‐Ho
Published: December 2021

This study evaluated 3D printed polycaprolactone (PCL) composite scaffold and recombinant human bone morphogenetic protein‐2 (rhBMP‐2), loaded either onto a PCL composite scaffold or implant surface, for vertical bone augmentation with implant placement. Three‐dimensional printed PCL frames were filled with powdered PCL, hydroxyapatite, and β‐tricalcium phosphate. RhBMP‐2 was loaded to the PCL composite scaffolds and implant surfaces, and rhBMP‐2 release was quantified for 21 days. Experimental implants were placed bilaterally on 20 rabbit calvaria, and the PCL composite scaffolds were vertically augmented. The randomly allocated experimental groups were divided by carrier and rhBMP‐2 dosage as no rhBMP‐2 (control), 5 μg rhBMP‐2 loaded to PCL composite (Scaffold/rhBMP‐2[5 μg]), 5 μg rhBMP‐2 loaded to implant (Implant/rhBMP‐2[5 μg]), 30 μg rhBMP‐2 loaded to PCL composite (Scaffold/rhBMP‐2[30 μg]), and 30 μg rhBMP‐2 loaded to implant (Implant/rhBMP‐2[30 μg]). Histologic and histometric analyses were conducted after 8 weeks. In both scaffold‐loading and implant‐loading, rhBMP‐2 released initially rapidly, then slowly and constantly. Released rhBMP‐2 totaled 23.02 ± 1.03% and 24.69 ± 1.14% in the scaffold‐loaded and implant‐loaded groups, respectively. There were no significant differences in histologic bone‐implant contact (%). Peri‐implant bone density (%) was significantly higher in the Scaffold/rhBMP‐2(30 μg) and Implant/rhBMP‐2(30 μg) groups. Total bone density (%) was not significantly different between the Scaffold/rhBMP‐2(5 μg), Implant/rhBMP‐2(5 μg), and control groups, or between the Scaffold/rhBMP‐2(30 μg) and Implant/rhBMP‐2(30 μg) groups, but was significantly higher in the Scaffold/rhBMP‐2(30 μg) and Implant/rhBMP‐2(30 μg) groups than in the controls. Three‐dimensional printed PCL composite scaffold with rhBMP‐2 produced vertical osteogenesis and osseointegration, regardless of rhBMP‐2 loading to the PCL composite scaffold or implant surface.
CHARMM‐GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field
Authors: Kognole Abhishek A. , Lee Jumin , Park Sang‐Jun , Jo Sunhwan , Chatterjee Payal , Lemkul Justin A. , Huang Jing , MacKerell Alexander D. , Im Wonpil
Published: December 2021

Explicit treatment of electronic polarizability in empirical force fields (FFs) represents an extension over a traditional additive or pairwise FF and provides a more realistic model of the variations in electronic structure in condensed phase, macromolecular simulations. To facilitate utilization of the polarizable FF based on the classical Drude oscillator model, Drude Prepper has been developed in CHARMM‐GUI. Drude Prepper ingests additive CHARMM protein structures file (PSF) and pre‐equilibrated coordinates in CHARMM, PDB, or NAMD format, from which the molecular components of the system are identified. These include all residues and patches connecting those residues along with water, ions, and other solute molecules. This information is then used to construct the Drude FF‐based PSF using molecular generation capabilities in CHARMM, followed by minimization and equilibration. In addition, inputs are generated for molecular dynamics (MD) simulations using CHARMM, GROMACS, NAMD, and OpenMM. Validation of the Drude Prepper protocol and inputs is performed through conversion and MD simulations of various heterogeneous systems that include proteins, nucleic acids, lipids, polysaccharides, and atomic ions using the aforementioned simulation packages. Stable simulations are obtained in all studied systems, including 5 μs simulation of ubiquitin, verifying the integrity of the generated Drude PSFs. In addition, the ability of the Drude FF to model variations in electronic structure is shown through dipole moment analysis in selected systems. The capabilities and availability of Drude Prepper in CHARMM‐GUI is anticipated to greatly facilitate the application of the Drude FF to a range of condensed phase, macromolecular systems.
Sex‐specific associations between traumatic experiences and resting‐state functional connectivity in the Philadelphia Neurodevelopmental Cohort
Authors: Wang Shiying , Malins Jeffrey G. , Zhang Heping , Gruen Jeffrey R.
Published: December 2021

Background

Traumatic experiences during childhood or adolescence are a significant risk factor for multiple psychiatric disorders and adversely affect multiple cognitive functions. Resting‐state functional magnetic resonance imaging has been used to investigate the effects of traumatic experiences on functional connectivity, but the impact of sex differences has not been well documented. This study investigated sex‐specific associations between resting‐state functional connectivity (rsFC) and traumatic experiences in typically developing youth.

Methods

The sample comprised 1395 participants, aged 8–21 years, from the Philadelphia Neurodevelopmental Cohort. Traumatic experiences were assessed based on the structured psychiatric evaluation. Sex, the number of traumatic events, and their interaction were regressed onto voxel‐wise intrinsic connectivity distribution parameter values derived from resting‐state functional magnetic resonance imaging. Brain regions that passed cluster correction were used as seeds to define resting‐state networks.

Results

After quality control, the final sample had 914 participants with mean (SD) age 14.6 (3.3) years; 529 (57.8%) females; 437 (47.8%) experienced at least one kind of traumatic event. Four discrete anatomical clusters showed decreased functional connectivity as the number of traumatic events increased. The resting‐state networks defined by using these four clusters as seeds corresponded with the somatomotor network. Sex‐specific associations were identified in another three clusters for which males showed increased connectivity, and females showed decreased connectivity as the number of traumatic events increased. The resting‐state networks defined by the three sex‐specific clusters corresponded with the default mode network (DMN).

Conclusions

In youth without psychiatric diagnoses, traumatic experiences are associated with an alteration of rsFC in brain regions corresponding with the somatomotor network. Associations differ in direction between males and females in brain regions corresponding with the DMN, suggesting sex‐specific responses to early exposure to trauma.
Millisecond dynamic of SARS‐CoV‐2 spike and its interaction with ACE2 receptor and small extracellular vesicles
Authors: Lim Keesiang , Nishide Goro , Yoshida Takeshi , Watanabe‐Nakayama Takahiro , Kobayashi Akiko , Hazawa Masaharu , Hanayama Rikinari , Ando Toshio , Wong Richard W.
Published: December 2021

SARS‐CoV‐2 spike protein (S) binds to human angiotensin‐converting enzyme 2 (hACE2), allowing virus to dock on cell membrane follow by viral entry. Here, we use high‐speed atomic force microscopy (HS‐AFM) for real‐time visualization of S, and its interaction with hACE2 and small extracellular vesicles (sEVs). Results show conformational heterogeneity of S, flexibility of S stalk and receptor‐binding domain (RBD), and pH/temperature‐induced conformational change of S. S in an S‐ACE2 complex appears as an all‐RBD up conformation. The complex acquires a distinct topology upon acidification. S and S2 subunit demonstrate different membrane docking mechanisms on sEVs. S‐hACE2 interaction facilitates S to dock on sEVs, implying the feasibility of ACE2‐expressing sEVs for viral neutralization. In contrary, S2 subunit docks on lipid layer and enters sEV using its fusion peptide, mimicking the viral entry scenario. Altogether, our study provides a platform that is suitable for real‐time visualization of various entry inhibitors, neutralizing antibodies, and sEV‐based decoy in blocking viral entry.

Teaser: Comprehensive observation of SARS‐CoV‐2 spike and its interaction with receptor ACE2 and sEV‐based decoy in real time using HS‐AFM.
Lipopolysaccharide and tyloxapol accelerate the development of atherosclerosis in mice
Authors: Jin Meiyu , Zhang Di , Zheng Lianwen , Wei Yunfei , Yan Siru , Qin Haiyan , Wang Qi , Zhao Lilei , Feng Haihua
Published: December 2021

The occurrence of atherosclerosis is closely related to inflammation and lipid metabolism disorder. It has been found that lipopolysaccharide (LPS) could induce inflammation, and tyloxapol (Ty) could induce hyperlipidemia. However, the effects of LPS and Ty on the development and mechanism of atherosclerosis have not been investigated thoroughly. To answer this question, we used assay kits to detect total cholesterol (TC), triglyceride (TG), and low‐density lipoprotein (LDL) content to evaluate dyslipidemia. We used hematoxylin and eosin staining to evaluate the pathological structure of the aorta and liver, and then used Oil Red O staining to access lipid accumulation in the aortic wall. Subsequently, we used the alanine transaminase (ALT) kit to examine the liver injury. Finally, we used the Western blot experiment to measure proteins that regulate lipid metabolism. We found that the LPS + Ty group could increase the levels of TC, TG, and LDL in the serum and promote lipid accumulation in the aortic wall in mice. Moreover, our study showed that the LPS + Ty group induced pathological changes in hepatocytes and increased ALT content in mice. Significantly, we found that the LPS + Ty group could activate acetyl‐CoA carboxylase, sterol regulatory element‐binding protein‐1c, and inhibit peroxisome proliferator‐activated receptors α in mice. Therefore, we suppose that LPS and Ty aggravated the development of atherosclerosis by promoting hyperlipidemia and the disorder of lipid metabolism in mice. These findings are significant for the study of the pathogenesis of atherosclerosis and the selection of animal models.
A Viologen Polymer and a Compact Ferrocene: Comparison of Solution Viscosities and Their Performance in a Redox Flow Battery with a Size Exclusion Membrane
Authors: Borchers Philipp S. , Elbert Johannes , Anufriev Ilya , Strumpf Maria , Nischang Ivo , Hager Martin D. , Schubert Ulrich S.
Published: December 2021

In this work, the synthesis and characterization of a compact, ferrocene tetramer and a linear viologen polymer is reported. The latter material is a new, 4,4′‐bipyridine containing, organo‐soluble polymer. As aimed for solubility in nonpolar solvents, a 2‐ethylhexyl‐moiety to promote organosolubility and 4‐vinylbenzyl serving as a polymerizable group are introduced to a 4,4′‐bipyridine. The halide anions of the monomer cation are exchanged to bis(trifluoromethansulfon)imide, which further enhances organosolubility. The monomer is subsequently copolymerized with styrene by free radical polymerization. In addition, a four‐ferrocene‐containing compact structure, based on pentaerythritol, is synthesized via the straightforward radical thiol‐ene reaction. The polymer solutions are thoroughly characterized hydrodynamically. Subsequently, propylene carbonate‐based solutions of both materials are prepared to allow an assessment for future energy storage applications. This is done by testing battery characteristics in a custom‐made flow‐cell with a simple dialysis membrane for physical separation of the active materials. The capability of energy storage is verified by leaving the charged materials in solution in an open circuit for 24 h. Here, more than 99% of the stored charges can be recovered. Cycling the battery for 100 times reveals the remarkable stability of the materials of only 0.2% capacity loss per day in the battery setup.
Facile Aluminum Porphyrin Complexes Enable Flexible Terminal Epoxides to Boost Properties of CO2‐Polycarbonate
Authors: Mo Wenjie , Zhuo Chunwei , Cao Han , Liu Shunjie , Wang Xianhong , Wang Fosong
Published: December 2021

Incorporation of flexible monomer is regarded as a valid way to the chemical modification of the highly brittle poly(cyclohexene carbonate) (PCHC), which derived from the copolymerization of CO2 and cyclohexene oxide (CHO). However, toxic metal catalyst such as cobalt dominates these terpolymerizations which against the green development philosophy. Here, a series of environmentally benign aluminum porphyrin catalysts with different steric and electronic effects for the terpolymerization of CO2, CHO, and terminal epoxides with various flexible pendant alkyl groups to adjust the properties of PCHC is reported. The resulting terpolymers display a random distribution of cyclohexene carbonate along the backbone with a regulated terminal epoxide insertion from 30% to 70%. Moreover, the mechanical properties can be well regulated in a wide range indicating the feasibility of the present approach. The present study provides a green way to chemical modification of rigid PCHC.
High Barrier Nanocomposite Film with Accelerated Biodegradation by Clay Swelling Induced Fragmentation
Authors: Timmins Renee L. , Kumar Anil , Röhrl Maximilian , Havlíček Karel , Agarwal Seema , Breu Josef
Published: December 2021

Conventional biodegradable polymers such as poly(lactic acid) (PLA) are an attractive alternative to replace traditional nondegradable food packaging films which plague the environment. However, PLA has shown to not be degradable in some environmentally relevant conditions, including within the freshwater systems. Additionally, PLA suffers from very poor barrier properties, which could result in food spoilage. Compositing with clay has been used to improve barrier properties according to tortuous path theory. Here a synthetic, large aspect ratio Na‐Hectorite is used that may be utterly delaminated in an organic solvent and composited with PLA by modification with 18‐crown‐6 (18C6Hec), yielding a castable, homogeneous nematic suspension. Upon drying, thermodynamics drive the suspension toward segregation into sublayers of PLA and partially restacked 18C6Hec in situ. This unique self‐assembled nanostructure combines the best of two worlds: The aspect ratio remains high and results in a 99.3% reduction in oxygen permeability. Additionally, the film shows surprisingly high resistance to swelling at elevated humidity, but once soaked in water, clay swelling is triggered, which fragments the film and drastically increases the surface area by 2500%. Accelerated degradation is observed under controlled enzymatic conditions and in an environmentally relevant wastewater medium during CO2 evolution testing.
Operators based on Pólya distribution and finite differences
Authors: Gupta Vijay
Published: December 2021

The several generalizations of the well‐known Bernstein polynomials are available in the literature. The general form of Bernstein polynomial based on Pólya distribution and its Kantorovich variant available in the literature have no links. In order to introduce a modification of a known operator, it is important to have some connection with the original one. Here, we provide a link between the such operators and its Kantorovich type integral variant using the method of backward difference operator and find another generalization, different than the one proposed before by Razi. We also provide some direct results for the Kantorovich operators. Finally, we also introduce the higher order Pólya–Kantorovich operators.
Recent Trends in the Pyrolysis of Non‐Degradable Waste Plastics
Authors: Gebre Shushay Hagos , Sendeku Marshet Getaye , Bahri Mohamed
Published: December 2021

Waste plastics are non‐degradable constituents that can stay in the environment for centuries. Their large land space consumption is unsafe to humans and animals. Concomitantly, the continuous engineering of plastics, which causes depletion of petroleum, poses another problem since they are petroleum‐based materials. Therefore, energy recovering trough pyrolysis is an innovative and sustainable solution since it can be practiced without liberating toxic gases into the atmosphere. The most commonly used plastics, such as HDPE, LDPE (high‐ and low‐density polyethylene), PP (polypropylene), PS (polystyrene), and, to some extent, PC (polycarbonate), PVC (polyvinyl chloride), and PET (polyethylene terephthalate), are used for fuel oil recovery through this process. The oils which are generated from the wastes showed caloric values almost comparable with conventional fuels. The main aim of the present review is to highlight and summarize the trends of thermal and catalytic pyrolysis of waste plastic into valuable fuel products through manipulating the operational parameters that influence the quality or quantity of the recovered results. The properties and product distribution of the pyrolytic fuels and the depolymerization reaction mechanisms of each plastic and their byproduct composition are also discussed.
Prenatal phenotype of 47, XXY (Klinefelter syndrome)
Authors: Swanson Kate , Bishop Juliet C. , Al‐Kouatly Huda B. , Makhamreh Mona , Felton Thomas , Vora Neeta L. , Sparks Teresa N. , Jelin Angie C.
Published: December 2021

Objective

There is a paucity of knowledge regarding the prenatal presentation of Klinefelter syndrome, or 47, XXY. Accurate prenatal counseling is critical and in utero diagnosis is currently limited by a poor understanding of the prenatal phenotype of this condition.

Methods

This is a case series of fetuses with cytogenetically confirmed 47, XXY in the prenatal period or up to age 5 years, with prenatal records available for review from four academic institutions between 2006 and 2019. Ultrasound reports were reviewed in detail to assess for increased nuchal translucency and structural abnormalities. Additionally, we reviewed results of cell‐free DNA and serum analyte testing when performed to inform our understanding of the detection of fetal 47, XXY through standard genetic screening tests.

Results

Forty‐one cases with confirmed cytogenetic diagnosis of 47, XXY and prenatal records available for review were identified: 37 had a prenatal diagnosis and 4 had a postnatal diagnosis. Nuchal translucency was increased ≥3.0 mm in 23.1% (6/26) of cases with a documented measurement. In 29.2% (7/24) of cases with a second trimester anatomical ultrasound available for review, a fetal abnormality was identified (3 brain anomalies, 1 cardiac abnormality, 1 echogenic bowel, and 2 limb abnormalities). Among those who had cell‐free DNA and serum analytes performed, 92.6% (25/27) and 36.3% (4/11) had an abnormal result respectively.

Conclusion

This case series expands our knowledge of the prenatal presentation of 47, XXY by identifying first and second trimester fetal sonographic abnormalities. Prenatal identification of this condition enables accurate counseling, focused prenatal management, and early postnatal interventions to ameliorate some of the known complications.
Registration of two rice mapping populations using weedy rice ecotypes as a novel germplasm resource
Authors: Jia Yulin , Singh Vijay , Gealy David , Liu Yan , Ma Jianbing , Thurber Carrie , Roma‐Burgos Nilda , Olsen Kenneth M. , Caicedo Ana
Published: December 2021

Two mapping populations were developed from crosses of the Asian indica rice (Oryza sativa L.) cultivar ‘Dee Geo Woo Gen’ (DGWG; PI 699210 Parent, PI 699212 Parent) and two weedy rice ecotypes, an early‐flowering straw hull (SH) biotype AR‐2000‐1135‐01 (PI 699209 Parent) collected in Arkansas and a late‐flowering black hull (BHA) biotype MS‐1996‐9 (PI 699211 Parent) collected in Mississippi. The weed and crop‐based rice recombinant inbred line (RIL) mapping populations have been used to identify genomic regions associated with weedy traits as well as resistance to sheath blight and rice blast diseases. The mapping population consists of 185 (DGWG/SH; Reg. no. MP‐9, NSL 541035 MAP) and 234 (BHA/DGWG; Reg. no. MP‐10, NSL 541036 MAP) F8 RILs, of which 175 (DGWG/SH) and 224 (BHA/DGWG) were used to construct two linkage maps using single nucleotide polymorphic markers to identify weedy traits, sheath blight, and blast resistance loci. These mapping populations and related datasets represent a valuable resource for basic rice evolutionary genomic research and applied marker‐assisted breeding efforts in disease resistance.
Disparities and inequalities in cancer care and outcomes in patients with severe mental illness: Call to action
Authors: Grassi Luigi , Riba Michelle B.
Published: December 2021

Objectives

People with severe mental illness (SMI) are at extreme risk of being stigmatized and to receive poor quality physical care. It has been demonstrated that they have higher morbidity and poorer prognosis of several medical diseases than the general population, with an at least 10–20‐year reduction in life expectancy.

Methods

A special issue of Psycho‐Oncology focusing on cancer care among patients affected by SMI was called by the Editorial Board of the journal, with the aim to explore cancer health disparities and inequalities among people with SMI, mortality from cancer, problems of communication between multidisciplinary oncology and psychiatric teams and need for more structured intervention (i.e., screening, prevention, treatment).

Results

Authors from eight countries contributed. The problem of stigma and barriers to cancer care provision for patients with SMI were studied (e.g., the complex nature of SMI and healthcare providers' misunderstanding of SMI). Key barriers were related to both patients, clinicians and institutional problems, such as fragmentation of care. A higher mortality from cancer and poor knowledge about cancer risk‐factors was shown in patients with SMI. Models of intervention were also proposed.

Conclusions

Several conclusions have been recommended by the authors, such as the need for guidelines and clinical procedures specific for cancer care in mental health settings; large‐scale studies to address the disparities of care in people with SMI; a larger vision of psychosocial oncology as the facilitator of the liaison between oncology and psychiatry.
Mini review on environmental issues concerning conventional gas hydrate inhibitors
Authors: Haq Ihtisham Ul , Qasim Ali , Lal Bhajan , Zaini Dzulkarnain B.
Published: December 2021

In the offshore oil and gas fields, the formation of gas hydrates creates critical issues, and these issues or challenges become more pervasive as productive activities proceed to deep sea waters. Further, a number of chemical additives that are used to prevent gas hydrate formation in pipelines pose toxicity issues and are harmful to the environment. Commercially available inhibitors such as methanol, glycols, polyvinyl caproclatum (PVCap), and polyvinylpyrrolidone (PVP), which are being used for gas hydrate mitigation, have shown toxicity issues such as corrosion and mass loss due to their volatile nature, resulting in their high consumption. Methanol and glycols are identified as thermodynamic hydrate inhibitors (THIs), while PVCap and PVP are classified as low‐dosage hydrate inhibitiors. There has been considerable discussion in the literature on whether to use THIs or low‐dosage gas hydrate inhibitors (LDHIs) but less discussion on their toxicity and harmful effects on the environment. Therefore, in this mini review we intend to throw light on the environmental issues concerning conventional gas hydrate inhibitors used currently.
Generalized Ellipsometry Measurements of Crystalline Thin Film and Bulk Tin Oxide
Authors: Jellison Gerald E. , Hermann Raphaël P. , Specht Elliot D. , Boatner Lynn A. , Zac Ward T. , Herklotz Andreas
Published: December 2021

Several bulk and thin‐film crystals of SnO2 are grown and examined using generalized ellipsometry techniques. The bulk samples are grown using the chemical vapor transport technique and thin films of SnO2 are grown using the pulsed laser deposition technique. The bulk samples are examined using the two‐modulator generalized ellipsometry microscope (2‐MGEM) at normal incidence and the spectroscopic two‐modulator generalized ellipsometer (2‐MGE). The spectroscopic optical functions of tin oxide are then obtained using the 2‐MGE from 1.46 to 6.2 eV. The material is highly birefringent, and the ordinary bandgap is less than the extraordinary band edge. 2‐MGE measurements are also made on thin‐film samples of crystalline tin oxide grown on sapphire and rutile, showing no cross polarization. Because of the complicated morphology of the tin oxide films grown on sapphire, the ellipsometry data are simulated using the Tauc–Lorentz model. Films grown on rutile had the optic axis perpendicular to the sample surface, but the film is strained, resulting in a more complicated ellipsometric spectrum. These films are modeled using the air/surface roughness/tin oxide/interface/rutile model, where the roughness and interface are modeled using the incomplete Beta function.
Application of Mechanochemically Treated Waste Materials for Water Remediation
Authors: Cherkezova-Zheleva Zara , Paneva Daniela , Encheva Elzhana , Tsvetkov Martin , Krstić Jugoslav , Grilli Maria Luisa
Published: December 2021

The possibility to reuse damaged Fe‐based metallic glasses with heterogeneities in their amorphous structure for wastewater remediation is investigated. Fe81B13.5Si3.5C2 ribbons are treated in a planetary ball mill in order to improve their catalytic behavior. Their efficiency in model Fenton reaction of Methyl orange azo‐dye degradation is registered. It reveals significant variations of their performance as a result of material transformation under mechanical treatment. Detailed physicochemical analysis is made to follow material changes after ball milling and catalytic tests. It is obtained that the formation of local atomic Fe‐rich and Fe‐deficit clusters randomly distributed in the amorphous alloy is highly beneficial for increasing catalyst dye degradation ability. Catalytically active centers in studied redox reaction are Fe‐rich clusters due to their strong affinity for donating electrons. Additional important result of this study is that mechanochemical treatment of metallic glasses at appropriate conditions can lead to material homogenization and relaxation of amorphous structure, as it can be observed after temperature annealing. This study demonstrates the possibility to apply mechanochemical method for rearrangement of the amorphous structure of damaged metallic glasses. Such waste materials can be in fact successfully reused as green and sustainable catalysts for effective purification of contaminated industrial waters.
Mapping the spatial distribution of stand age and aboveground biomass from Landsat time series analyses of forest cover loss in tropical dry forests
Authors: George‐Chacón Stephanie P. , Mas Jean François , Dupuy Juan Manuel , Castillo‐Santiago Miguel Angel , Hernández‐Stefanoni José Luis
Published: December 2021

Spatial information on the timing of forest cover loss is important to identify and map stand age, which is a key factor driving the recovery of carbon pools and can also be used to estimate aboveground biomass (AGB) based on its relationship with stand age. Here, we estimated the spatial distribution of stand age and AGB of young forest (<20 years) in three types of tropical dry forest in the Yucatan peninsula using Landsat NDVI (normalized difference vegetation index) time series from 2000 to 2020. We estimated AGB based on chronosequence data and compared these results to reference field data and estimations obtained from remote‐sensing studies. The overall and user accuracy of the age map was high (95.7–99.9% and 87.35–98.5% respectively). However, lower producer accuracy values (from 31.2 to 67.2%) suggest an underestimation of the extension of young forests. We found a greater extent of young forests in the semi‐deciduous and deciduous forests compared to the semi‐evergreen ones. Mean AGB estimated from stand age (53.1 Mg ha−1) was lower than that estimated from remote‐sensing studies (67.5 to 95.2 Mg ha−1). These results indicate that spatial information of forest age can be accurately assessed from Landsat time series, and that the combination of stand age with chronosequence data can reduce the overestimation of AGB of recovering forests commonly found in remotely sensed data.
Inhibition of cold‐welding and adhesive wear occurring on surface of the 6061 aluminum alloy by graphene oxide/polyethylene glycol composite water‐based lubricant
Authors: Chen Lu , Tu Nan , Wei Qianyang , Liu Tao , Li Chengzhi , Wang Wenbo , Li Jianhui , Lu Hailin
Published: December 2021

In this paper, graphene oxide/polyethylene glycol (GO/PEG) composite water‐based lubricant was prepared by an ultrasonic dispersion method, and characterized and analyzed by Fourier transform infrared (FT‐IR), Raman spectroscopy, X‐ray diffraction (XRD), X‐ray photoelectron spectroscopy (XPS), and thermogravimetric analysis (TGA). The suspension performance of GO/PEG composite water‐based lubricant in water was verified by static sedimentation and centrifugation, and then, the prepared GO/PEG composite water‐based lubricant was added into 304 stainless steel and 6061 aluminum alloy, and the coefficient of friction (COF) curve, average COF value, average wear rate, corresponding photomicrographs of balls and disks after wear, and energy‐dispersive spectrometer (EDS) elemental analysis were used to illustrate the lubrication effect and lubrication mechanism. The results show that the GO/PEG composite water‐based lubricant possesses excellent suspension ability in water, and the average COF value and wear rate of GO/PEG composite water‐based lubricant are reduced by 78.8% and 88.8%, respectively, compared with water lubrication. The excellent lubrication effect of GO/PEG composite water‐based lubricant can effectively reduce the cold‐welding and adhesive wear phenomenon, mainly because GO/PEG composite water‐based lubricant first fills the uneven surface of friction mating to form a high‐quality lubricating film and then because of the special space structure of GO and the low shear between GO layers and the synergistic lubrication effect of GO/PEG.
XPS study on surface modification of NiTi alloy by acidic solution immersion and subsequent heating in air
Authors: Sakamoto Kota , Hayashi Fumio , Ohtsu Naofumi
Published: December 2021

Changes in the surface chemical state of a nearly equiatomic nickel–titanium (NiTi) alloy caused by immersion in aqueous solutions of HNO3 and H2SO4 as well as subsequent heating in air at 723 K were analyzed using X‐ray photoelectron spectroscopy (XPS). An XPS analysis using angle‐resolved technique and a mathematical deconvolution technique revealed that a passive layer formed in an ambient atmosphere contained TiO2 as a major state and Ni(OH)2 and NiO as minor states. The Ni(OH)2 on the alloy remained in the region even when heated in air at 723 K. Therefore, the resulting layer became a Ti‐oxide layer with Ni segregated region at the surface, which was NiO formed via dehydration of Ni(OH)2. However, immersion in an aqueous solution of HNO3 or H2SO4 enables Ni(OH)2 state to dissolve in the passive layer of a NiTi alloy; thereby, the Ni segregated region rarely appeared in the oxide layer by heating. The Ni segregated region at the surface becomes an obstacle for the inward diffusion of oxygen; thus, the annihilation of such a segregated region results in an increase in the thickness of the oxide layer.
Synthesis and Promising Cytotoxic Activity of Betulonic Acid Modified Derivatives
Authors: Giniyatullina Gulnara V. , Petrova Anastasiya V. , Mustafin Akhat G. , Zileeva Zulfia R. , Kuzmina Ulyana Sh. , Vakhitova Yulia V. , Kazakova Oxana B.
Published: December 2021

In this paper, a series of betulonic acid N‐methylpiperazinyl amide derivatives, especially holding C2‐nicotinoylidene/furfurylidene/fluorobenzylidene fragments, have been synthesized and evaluated for their cytotoxic activity against the NCI‐60 cancer cell line panel. N‐Methylpiperazinyl amide of betulinic acid 11 (GI50=0.49 μM for leukemia CCRF‐CEM cell line), 2‐(4‐pyridinoylidene)‐betulinic 9 and betulonic 14 acids (GI50=1.60 and 1.36 μM for colon cancer HCT‐116 cell line, respectively), as well as 2‐(furfurylidene)‐betulonic acid 16 (GI50=1.66 μM for melanoma LOX IMVI cell line) were found to be the lead compounds. The activity displayed for these compounds was higher than for the standard drug doxorubicin against colon cancer HCT‐15 and ovarian cancer NCI/ADR‐RES cell lines. Cell cycle analysis indicates that compound 11 promotes cytotoxic activity through the apoptosis induction both in conditionally normal (HEK293) and in cancer (A549, MCF‐7) cells, whereas compound 14 exhibits both cytostatic and cytotoxic activity, dependently on cell line evaluated. In particular, in HEK293 cells the compound 14 induces mainly apoptotic cell death, while in A549 and MCF‐7 cells cytostatic effect is dependent on cell cycle arrest in the G2/M phase. Compounds 11 and 14 are promising molecules for future antitumor drug development.
Single‐Column‐Based Heck Coupling, Condensation and Alkylation Strategy: Synthesis of 2‐Benzoyl‐2‐alkyl‐2,3‐dihydro‐1H‐inden‐1‐ones
Authors: Dorjay Lama Penang , Bhaskara Rao Latchipatula , Sreenivasulu Chinnabattigalla , Ravi Kishore Dakoju , Satyanarayana Gedu
Published: December 2021

An efficient method for the synthesis of alkyl benzoyl indanonesviaa simple intermolecular Heck coupling followed by intramolecular condensation, and alkylation is presented. Notably, the strategy exhibited good substrate scope and enabled the synthesis of diverse alkyl substituted 1,3‐dicarbonyl products. Significantly, this protocol was successful using a single‐column purification technique.
In Situ Generated Crude Trithiocarbonate for Visible Light‐Mediated RAFT Polymerization of Acrylates**
Authors: Yang Qizhi , Yang Yili , Liu Wenli , Tian Wei , Xing Feiyue , Xiao Pu
Published: December 2021

Reversible addition‐fragmentation chain transfer (RAFT) radical polymerization holds great promise in the design and massive production of functional polymeric materials. However, its practical application was restricted by the scale‐up production of chain transfer agents, the insufficient oxygen tolerance, and its environmental impact. In this work, a trithiocarbonate (TTC)‐based RAFT agent ethyl 2‐(((butylthio)carbonothioyl)thio)propanoate was synthesized in situ using shelf‐stable RAFT precursors, i. e., sodium n‐butyl trithiocarbonate (TTCS) and ethyl 2‐bromopropionate (EBrP). The crude product was then directly used in RAFT polymerization of acrylates under the irradiation of LED at 405 nm. First‐order polymerization kinetics was evidenced by proton nuclear magnetic resonance and size exclusion chromatography analysis. The measured molecular weights were close to the theoretical values and the dispersities of poly(tert‐butyl acrylate)s (PtBAs) are as low as 1.08, thanks to the light‐induced activation of the RAFT agent. Well‐defined PtBA is also obtained in the presence of air, due to the intrinsic catalytic behavior of TTC. The proposed method greatly simplifies the set‐up of RAFT polymerization without compromising its control for the polymerization. And it also contributes to reducing the cost and environmental impact of the RAFT polymerization, being promising for the industrialization of RAFT polymerization.
Engineering Stress in Thin Films: An Innovative Pathway Toward 3D Micro and Nanosystems
Authors: Truong Thanh‐An , Nguyen Tuan‐Khoa , Zhao Hangbo , Nguyen Nhat‐Khuong , Dinh Toan , Park Yoonseok , Nguyen Thanh , Yamauchi Yusuke , Nguyen Nam‐Trung , Phan Hoang‐Phuong
Published: December 2021

Transformation of conventional 2D platforms into unusual 3D configurations provides exciting opportunities for sensors, electronics, optical devices, and biological systems. Engineering material properties or controlling and modulating stresses in thin films to pop‐up 3D structures out of standard planar surfaces has been a highly active research topic over the last decade. Implementation of 3D micro and nanoarchitectures enables unprecedented functionalities including multiplexed, monolithic mechanical sensors, vertical integration of electronics components, and recording of neuron activities in 3D organoids. This paper provides an overview on stress engineering approaches to developing 3D functional microsystems. The paper systematically presents the origin of stresses generated in thin films and methods to transform a 2D design into an out‐of‐plane configuration. Different types of 3D micro and nanostructures, along with their applications in several areas are discussed. The paper concludes with current technical challenges and potential approaches and applications of this fast‐growing research direction.
Uninterrupted Self‐Generation Thermoelectric Power Device Based on the Radiative Cooling Emitter and Solar Selective Absorber
Authors: Gao Kai , Yang Jiale , Shen Honglie , Liu Youwen , Li Yufang , Zhang Meiling
Published: December 2021

Self‐generation power devices based on the radiative cooling effect have intense potential applications in the energy conversion field. A selective solar absorber is introduced into thermoelectric generator (TEG) devices based on radiative cooling emitters (RCEs). The self‐generation device can work continuously for 24 h, and the output power is greatly enhanced. The RCE is prepared as a polydimethylsiloxane–Al structure by a simple squeegee method. The solar selective absorber (SSA) of the W–Si–O laminated film is prepared by the magnetron sputtering method. Its working temperature can reach as high as 85 °C under AM1.5 sunlight. The calculation results prove that the selective solar absorber can achieve 1.55 times the net heating power of an ideal blackbody at the same working temperature of 85 °C. The assembled self‐generation power device achieves output powers of 695.1 and 5.23 mW m−2 on clear days and nights, respectively, as well as an output power of 7.64 mW m−2 even in the cloudy daytime. The result of theoretical calculation proves that the addition of SSA can greatly increase the temperature difference and the average working temperature, which improves the efficiency of the TEG and the output power of the device.
A unified approach for outliers and influential data detection: The value of information in retrospect
Authors: Parsons Jacob , Bao Le
Published: December 2021

Identifying influential and outlying data is important as it would guide the effective collection of future data and the proper use of existing information. We develop a unified approach for outlier detection and influence analysis. Our proposed method is grounded in the intuitive value of information concepts and has a distinct advantage in interpretability and flexibility when compared to existing methods: It decomposes the data influence into the leverage effect (expected to be influential) and the outlying effect (surprisingly more influential than being expected); and it applies to all decision problems such as estimation, prediction and hypothesis testing. We study the theoretical properties of three values of information quantities, establish the relationship between the proposed measures and classic measures in the linear regression setting and provide real data analysis examples of how to apply the new value of information approach in the cases of linear regression, generalized linear mixed models and hypothesis testing.
Evaluation of dynamic analysis of diagrid tall steel building subjected to wind with control approach of operation and acceleration criteria
Authors: Hooshmand Mehdi , Haji Kazemi Hassan , Zareei Seyed Alireza
Published: December 2021

Considering the widespread use of diagrid systems in tall buildings, research on the behavior of this structural system against wind and control of comfort criteria based on acceleration seems necessary. According to various regulations, it can be found that there is not much guidance for designing this structural system, and its requirements have not yet been included in the design regulations. Therefore, one of the most important objectives of the present study is to study and apply the diagrid structural system as one of the new structural systems in high‐rise buildings. For this purpose, the effect of various parameters, including the acceleration of stories and the base shear under the dynamic wind load, was evaluated which was less studied so far. It is expected that the performance of diagrid will be evaluated by more accurately understanding the diagrid in tall structures and examining the operation and comfort criteria based on acceleration against wind load using dynamic analysis of time history in three methods: Cholesky, ergodic, and autoregressive (AR). The results were compared with the formulas of ASCE7 regulations and AIJ‐GBV‐2004 and ISO 10137: 2007 and National Research Council of Canada (NBCC) comfort criteria. Studies show that the acceleration of diagrid system stories, based on the ASCE7 dynamic‐wind response prediction equations, has exceeded the allowable limit of ASCE 7 regulations (20 gal or 20 milli‐g). This is due to the overestimation of the ASCE 7 equations relative to the results of wind time history analysis. Hence, in the 50‐story structure, the maximum roof acceleration resulting from ASCE 7 equation is 1.83 times the analytical results, in 70‐story structure 2.07 times, and in the 100‐story structure 1.87 times the results of dynamic‐wind time history analysis.
Development of interprofessional case discussion series from an interprofessional geriatrics clinic and its influence on professional identity formation
Authors: Halli‐Tierney Anne D. , McKinney Robert E. , Gold Allyson E. , Allen Rebecca S. , Carroll Dana G.
Published: December 2021

This article focuses on the use of interprofessional case discussions as an interactive learning approach to cultivate professional identity formation among multiple professions while simultaneously promoting geriatric education and enhancing learning about diverse disciplines needed for care of the older adult.