bluuebunny/crossref_metadata_2025 huggingface dataset:
Single‐Atom Catalysts for Nanocatalytic Tumor Therapy
Authors: Lu Xiangyu , Gao Shanshan , Lin Han , Shi Jianlin
Published: January 2021

Recently, single‐atom catalysts (SACs) have been receiving increasing attention in various catalytic fields, and meanwhile, emerging nanocatalytic medicine provides a novel tumor chemotherapy modality without using toxic chemodrugs. The distinct properties of SACs, such as well‐defined and precisely located metal centers, identical coordination environment, tailorable composition and structure, and versatile functionality, make them promising candidates for catalytic tumor therapy. Herein, the most recent advances in nanocatalytic tumor therapy by using various types of SACs, especially their remarkable achievements in several nanocatalytic tumor therapy‐based modalities, such as chemodynamic therapy by tumor microenvironment‐responsive catalytic reactions, photodynamic therapy by photocatalytic reactions, sonodynamic therapy by sonocatalytic reactions, and parallel catalytic therapy by parallel catalytic reactions, are reviewed by focusing on the catalytic nanoplatform construction and catalytic mechanism. A concise but concentrated summary and outlook are provided finally to outline the perspectives and the remaining challenges for the future design and engineering of SACs for tumor therapy.
Sustainable Synthesis of Bimetallic Single Atom Gold‐Based Catalysts with Enhanced Durability in Acetylene Hydrochlorination
Authors: Kaiser Selina K. , Clark Adam H. , Cartocci Lucrezia , Krumeich Frank , Pérez‐Ramírez Javier
Published: January 2021

Gold single‐atom catalysts (SACs) exhibit outstanding reactivity in acetylene hydrochlorination to vinyl chloride, but their practical applicability is compromised by current synthesis protocols, using aqua regia as chlorine‐based dispersing agent, and their high susceptibility to sintering on non‐functionalized carbon supports at >500 K and/or under reaction conditions. Herein, a sustainable synthesis route to carbon‐supported gold nanostructures in bimetallic catalysts is developed by employing salts as alternative chlorine source, allowing for tailored gold dispersion, ultimately reaching atomic level when using H2PtCl6. To rationalize these observations, several synthesis parameters (i.e., pH, Cl‐content) as well as the choice of metal chlorides are evaluated, hinting at the key role of platinum in promoting a chlorine‐mediated dispersion mechanism. This can be further extrapolated to redisperse large gold agglomerates (>70 nm) on carbon carriers into isolated atoms, which has important implications for catalyst regeneration. Another key role of platinum single atoms is to inhibit the sintering of their spatially isolated gold‐based analogs up to 800 K and during acetylene hydrochlorination, without compromising the intrinsic activity of Au(I)‐Cl active sites. Accordingly, exploiting cooperativity effects of a second metal is a promising strategy towards practical applicability of gold SACs, opening up exciting opportunities for multifunctional single‐atom catalysis.
Peptide‐Engineered Fluorescent Nanomaterials: Structure Design, Function Tailoring, and Biomedical Applications
Authors: Wang Yan , Xia Kai , Wang Luchen , Wu Mingxue , Sang Xiujie , Wan Keming , Zhang Xiaodong , Liu Xiaomin , Wei Gang
Published: January 2021

Fluorescent nanomaterials have exhibited promising applications in biomedical and tissue engineering fields. To improve the properties and expand bioapplications of fluorescent nanomaterials, various functionalization and biomodification strategies have been utilized to engineer the structure and function of fluorescent nanomaterials. Due to their high biocompatibility, satisfied bioactivity, unique biomimetic function, easy structural tailoring, and controlled self‐assembly ability, supramolecular peptides are widely used as versatile modification agents and nanoscale building blocks for engineering fluorescent nanomaterials. In this work, recent advance in the synthesis, structure, function, and biomedical applications of peptide‐engineered fluorescent nanomaterials is presented. Firstly, the types of different fluorescent nanomaterials are introduced. Then, potential strategies for the preparation of peptide‐engineered fluorescent nanomaterials via templated synthesis, bioinspired conjugation, and peptide assembly‐assisted synthesis are discussed. After that, the unique structure and functions through the peptide conjugation with fluorescent nanomaterials are demonstrated. Finally, the biomedical applications of peptide‐engineered fluorescent nanomaterials in bioimaging, disease diagnostics and therapy, drug delivery, tissue engineering, antimicrobial test, and biosensing are presented and discussed in detail. It is helpful for readers to understand the peptide‐based conjugation and bioinspired synthesis of fluorescent nanomaterials, and to design and synthesize novel hybrid bionanomaterials with special structures and improved functions for advanced applications.
Room‐Temperature Exciton‐Based Optoelectronic Switch
Authors: Ye Tong , Zhou Boxuan , Liu Zeyi , Li Yongzhuo , Shen Hongzhi , Ning Cun‐Zheng , Li Dehui
Published: January 2021

Excitons, bound pairs of electrons and holes, could act as an intermediary between electronic signal processing and optical transmission, thus speeding up the interconnection of photoelectric communication. However, up to date, exciton‐based logic devices such as switches that work at room temperature are still lacking. This work presents a prototype of a room‐temperature optoelectronic switch based on excitons in WSe2 monolayer. The emission intensity of WSe2 stacked on Au and SiO2 substrates exhibits completely opposite behaviors upon applying gate voltages. Such observation can be ascribed to different doping behaviors of WSe2 caused by charge‐transfer and chemical‐doping effect at WSe2/Au and WSe2/SiO2 interfaces, respectively, together with the charge‐drift effect. These interesting features can be utilized for optoelectronic switching, confirmed by the cyclic PL switching test for a long time exceeding 4000 s. This study offers a universal and reliable approach for the fabrication of exciton‐based optoelectronic switches, which would be essential in integrated nanophotonics.
Production of C, N Alternating 2D Materials Using Covalent Modification and Their Electroluminescence Performance
Authors: Park Sunghee , Kim Young-Hoon , Kang Sungwoo , Lim Donggyu , Park Jinwoo , Jang Dawoon , Choi Seungjoo , Kim Jeongho , Han Seungwu , Lee Tae-Woo , Park Sungjin
Published: January 2021

Carbon nitrides (C3N4) show excellent properties in various optical and optoelectronic applications. However, their application to electroluminescence (EL) devices is limited by the lack of production methods of homogeneous dispersions in organic solvents, which are critically required for device fabrication. Herein, a strategy to generate stable dispersions of fluorescent, 2D C3N4 materials, and demonstrate light‐emitting diodes (LEDs) based on them is proposed. The treatment of urea‐driven C3N4 (UCN) with methoxy‐benzene diazonium salt (MD) produces dispersions in organic solvents. Experimental and theoretical studies suggest that MD treatment passivates the surface defects of the UCN. The resulting LED devices show bright green luminescence with an external quantum efficiency of 0.91%. This unprecedented result opens an era of C3N4 emitters as future promising light emitters in displays and solid‐state lighting.
Coupling of Silk Fibroin Nanofibrils Enzymatic Membrane with Ultra‐Thin PtNPs/Graphene Film to Acquire Long and Stable On‐Skin Sweat Glucose and Lactate Sensing
Authors: Liu Xiaotian , Zhang Wenli , Lin Zaifu , Meng Zhaohui , Shi Chenyang , Xu Zhijun , Yang Likun , Liu Xiang Yang
Published: January 2021

The applications of enzymatic biosensors are largely limited by their relatively poor stability and short lifespan. Herein, a bio‐active porous enzymatic nanofiber (PEN) membrane composed of silk fibroin nanofibrils (SFNFs) and enzymes is developed to effectively retain the enzymes in the 3D space. The 3D functional scaffolds formed by SFNFs can immobilize enzymes and provide a large surface area for molecular/ion diffusion and biochemical reactions. The PEN membrane is subsequently attached to an ultra‐thin PtNPs/graphene (Pt‐G) nanocomposite film to facilitate the electron transport between the enzymes and electrodes, permitting highly effective glucose and lactate sensing with long and stable performance. The as‐assembled glucose and lactate sensors demonstrate high sensitivity, good cyclic reproducibility, and in particular long‐term stability of up to 25 and 23.6 h, respectively. These glucose sensors have a working life that is ≈1.25‐times longer than that of the best available sensors reported so far. Moreover, a wearable platform based on the sensors is developed for real‐time analysis of sweat during outdoor exercising to transmit signals to a mobile handset. The high sensitivity, comfort and long‐term stability of the device can benefit for long‐term in‐line surveillance of physiological conditions.
Modulbauweisen im Verbundbrückenbau
Authors: Lechner Thomas , Schmitt Victor , Fischer Oliver , Kempf Johannes
Published: January 2021

Die modulare Konstruktion von Brückenbauwerken stellt in vielen Ländern mittlerweile den anerkannten Stand der Technik dar und wird dort stetig eingesetzt und weiterentwickelt. Insbesondere im europäischen Ausland, in den USA und im asiatischen Raum wird bereits eine Vielzahl der neuen Brücken in Segmentbauweise aus Stahlbeton‐ oder Spannbetonfertigteilen errichtet. Auch modulare Bauweisen in Stahlverbund kommen zum Einsatz. Die Vorteile von Modulbauweisen im Brückenbau liegen neben der qualitativ hochwertigen Fertigung der Einzelteile im Werk insbesondere in der deutlich verkürzten Bauzeit. Vor allem mit Blick auf das hoch ausgelastete Straßennetz werden auch in Deutschland (insbesondere für Ersatzneubauten) Entwürfe benötigt, die in kurzer Bauzeit bei minimaler Beeinträchtigung der Umwelt und des Verkehrs realisiert werden können. Im vorliegenden Beitrag werden verschiedene Modulbauweisen für den Verbundbrückenbau vorgestellt. Es wird zunächst ein kurzer Rückblick gegeben, bevor auf aktuelle Tendenzen und neue Entwicklungen eingegangen wird.
FZD5 regulates cellular senescence in human mesenchymal stem/stromal cells
Authors: Harada Seiko , Mabuchi Yo , Kohyama Jun , Shimojo Daisuke , Suzuki Sadafumi , Kawamura Yoshimi , Araki Daisuke , Suyama Takashi , Kajikawa Masunori , Akazawa Chihiro , Okano Hideyuki , Matsuzaki Yumi
Published: January 2021

Human mesenchymal stem/stromal cells (hMSCs) have garnered enormous interest as a potential resource for cell-based therapies. However, the molecular mechanisms regulating senescence in hMSCs remain unclear. To elucidate these mechanisms, we performed gene expression profiling to compare clonal immature MSCs exhibiting multipotency with less potent MSCs. We found that the transcription factor Frizzled 5 (FZD5) is expressed specifically in immature hMSCs. The FZD5 cell surface antigen was also highly expressed in the primary MSC fraction (LNGFR+THY-1+) and cultured MSCs. Treatment of cells with the FZD5 ligand WNT5A promoted their proliferation. Upon FZD5 knockdown, hMSCs exhibited markedly attenuated proliferation and differentiation ability. The observed increase in the levels of senescence markers suggested that FZD5 knockdown promotes cellular senescence by regulating the noncanonical Wnt pathway. Conversely, FZD5 overexpression delayed cell cycle arrest during the continued culture of hMSCs. These results indicated that the intrinsic activation of FZD5 plays an essential role in negatively regulating senescence in hMSCs and suggested that controlling FZD5 signaling offers the potential to regulate hMSC quality and improve the efficacy of cell-replacement therapies using hMSCs.
Numerical analysis on shear resistance of ultra‐high performance concrete‐normal strength concrete composite beam
Authors: He Ji , Chao Liu
Published: January 2021

Ultra‐high performance concrete‐normal strength concrete (UHPC‐NC) composite beam is a brand‐new composite structure. UHPC‐NC composite beam not only has the interfacial problem of the two materials, but its shear resistance should be investigated, which directly determines the mechanical performance and engineering value. In this article, the finite element analysis (FEA) method combined with the UHPC‐NC composite beam shear experiment are used to analyze the shear resistance of the composite beam and the influence of the interfacial zone on the shear behavior. The shear span‐to‐depth ratio, UHPC layer, and longitudinal reinforcement of specimens are designed to study the shear mechanism. Then the FEA model is used to simulate the cooperative working properties of the concrete beam and the UHPC layer, which includes two conditions—slip and no‐slip. The shear resistance, load‐span deflection curve and the strain of longitudinal reinforcement of the UHPC‐NC composite beams are analyzed and studied in combination with the results of shear experiment. The results show that the UHPC‐NC composite beam can effectively improve the ultimate shear resistance and ductility of the beam. At the same time, the interfacial zone of UHPC‐NC composite beam at the ultimate stage is a weak area, the cracking of that will has adverse effects on the mechanical properties of the composite beam, which needs to be paid attention to in the structural design.
A systems‐theoretic articulation of stakeholder needs and system requirements
Authors: Salado Alejandro
Published: January 2021

The literature shows disparities in how fundamental systems engineering concepts in the area of requirements engineering, such as stakeholder needs, system requirements, requirements elicitation, requirements derivation, and requirements decomposition, are used within the communities‐of‐practice and in research. Such disparities can lead to conceptual and application inconsistencies, which have been shown to contribute to the formulation of poor requirements. In this paper, such concepts are articulated using systems theory as the underlying theoretical framework. The concepts of problem space, solution space, open system, and closed system are central to this work. It is argued that the proposed articulations facilitate avoiding usage disparity, ultimately resulting in better formulation of requirements. These articulations are supported by in‐depth examples that comprehensively cover different types of needs and requirements, and provide step‐by‐step insights into how elicitation, derivation, and decomposition occur within a problem formulation effort.
The Growth of an Electrochemical Garden on a Zinc Electrode
Authors: Spanoudaki Dimitra , Pavlidou Eleni , Sazou Dimitra
Published: January 2021

The far‐from equilibrium precipitation reaction of chemical gardens can lead to the formation of biomimetic and complex structures providing a new route for the rational architectural design of functional materials. Inspired by recent developments in the field of chemical gardens, we put forward a new scientific question: “Is it possible to create an electrochemical garden?” By implementing state‐of‐the‐art electrochemical techniques and using the phenomenon of metal corrosion, we sculpture self‐organized structures on a zinc disc‐electrode surface by a mechanism similar to that of chemical gardens. A deeper search in the formation mechanism reveals that ion‐selective membranes are the driving force for the growth of an electrochemical garden. At last, electrochemical instabilities, introduced under proper conditions, result in the emergence of current oscillations in the region where electrochemical gardens were discovered. Current oscillations sculpture the electrode surface with a variety of self‐organized precipitate structures.
Factors Influencing Rainbow Trout Annual Growth in a Large Regulated River
Authors: Dunnigan James L. , Terrazas Marc M.
Published: January 2021

The construction and operation of dams represents one of the most significant anthropogenic impacts to the aquatic environment of freshwater ecosystems and includes changes in flow, temperature, water chemistry, sedimentation, and nutrient delivery. Despite the substantial changes caused by dams, we have a limited understanding of how dams influence important rate functions of fish, including growth rates. This study measured the growth rates of Rainbow TroutOncorhynchus mykissfrom successive captures of individually marked fish over seven annual increments within four river sections downstream of Libby Dam on the Kootenai River, Montana. We modeled the influence of hydropower‐related environmental variables on Rainbow Trout length and weight growth rates using linear mixed‐effects models. The top models predicting annual length and weight growth rates contained measures of water chemistry (ratio of total N to total P [N:P]) during the growing season, winter substrate coverage by the diatomDidymosphenia geminata, and an interactive term between winterD. geminatacoverage and fish size at tagging. WinterD. geminatacoverage and N:P were negatively correlated with annual growth rates, but the interactive term indicates that the influence of winterD. geminatacoverage disproportionally affects smaller fish more than larger fish. We hypothesize that N:P andD. geminataare influencing Rainbow Trout growth rates through lower‐trophic‐level impacts. Top Rainbow Trout length and weight growth models explained 94.6% and 92.2%, respectively, of the annual variability in growth rates, of which 87.7% and 76.2%, respectively, were attributable to fixed effects. An experimental nutrient addition study and robust trophic monitoring efforts in the Kootenai River downstream of Libby Dam would be an effective means of independent corroboration of these study results. If successful, nutrient addition may be an effective management strategy to improve annual Rainbow Trout growth rates, mitigating for the nutrient retention occurring in the large reservoir upstream of Libby Dam.
GMI, a fungal immunomodulatory protein from Ganoderma microsporum, induce apoptosis via β‐catenin suppression in lung cancer cells
Authors: Hsin I‐Lun , Hsu Jen‐Chieh , Wu Wen‐Jun , Lu Hsueh‐Ju , Wu Ming‐Fang , Ko Jiunn‐Liang
Published: January 2021

β‐catenin is important in development of lung cancer. In our previous study, GMI, a fungal immunomodulatory protein, inhibits lung cancer cell survival. The aim of this study is to evaluate the effect of GMI on β‐catenin inhibition and apoptosis induction. GMI induced apoptosis in lung cancer cells bearing wild‐type and mutated EGFR. GMI did not reduce the β‐catenin mRNA expression but suppressed the protein expressions of β‐catenin that resulted in the transcriptional downregulation of its target genes: survivin and cyclin‐D1. The transcriptional activation activity of β‐catenin was demonstrated by TOPFLASH/FOPFLASH luciferase reporter assay. Inhibition of GSK‐3β and proteasome blocked the inhibiting effect of GMI on β‐catenin and its target genes. β‐catenin silencing increased activation of apoptosis in GMI‐treated H1355 cells. This is the first study to reveal the novel function of GMI in inducing apoptosis via β‐catenin inhibition. These results provide a new potential of GMI in against lung cancer.
Perinatal outcomes of iatrogenic chorioamniotic separation following fetoscopic surgery: systematic review and meta‐analysis
Authors: Nassr A. A. , Hessami K. , Shazly S. A. , Meshinchi N. , Corroenne R. , Espinoza J. , Donepudi R. , Sanz Cortes M. , Belfort M. A. , Shamshirsaz A. A.
Published: January 2021

Objective

To compare the perinatal outcomes between pregnancies with and those without iatrogenic chorioamniotic separation (iCAS) following fetoscopic intervention.

Methods

We performed a search in PubMed, EMBASE, Scopus, Web of Science and Google Scholar from inception up to December 2020 for studies comparing perinatal outcomes between pregnancies that developed and those that did not develop iCAS after fetoscopic intervention for twin‐to‐twin transfusion syndrome (TTTS), open neural tube defect (ONTD) or congenital diaphragmatic hernia. A random‐effects model was used to pool the mean differences (MD) or odds ratios (OR) and the corresponding 95% CI. The primary outcome was neonatal survival. Secondary outcomes included gestational age (GA) at intervention and at delivery, interval from intervention to delivery and incidence of preterm prelabor rupture of membranes (PPROM) and preterm delivery. The methodological quality of the included studies was evaluated using the Newcastle–Ottawa scale.

Results

The search identified 348 records, of which seven studies (six on fetoscopic laser photocoagulation (FLP) for TTTS and one on fetoscopic repair for ONTD) assessed the perinatal outcomes of pregnancies that developed iCAS after fetoscopic intervention. Given that only one study reported on fetoscopic ONTD repair, the meta‐analysis was limited to TTTS pregnancies and included six studies (total of 1881 pregnancies). Pregnancies that developed iCAS after FLP for TTTS, compared with those that did not, had significantly lower GA at the time of intervention (weeks) (MD, −1.07 (95% CI, −1.89 to −0.24); P = 0.01) and at delivery (weeks) (MD, −1.74 (95% CI, −3.13 to −0.34); P = 0.01) and significantly lower neonatal survival (OR, 0.41 (95% CI, 0.24–0.70); P = 0.001). In addition, development of iCAS after FLP for TTTS increased significantly the risk for PPROM < 34 weeks' gestation (OR, 3.98 (95% CI, 1.76–9.03); P < 0.001) and preterm delivery < 32 weeks (OR, 1.80 (95% CI, 1.16–2.80); P = 0.008).

Conclusions

iCAS is a common complication after FLP for TTTS. In patients undergoing FLP for TTTS, iCAS develops more often with earlier GA at intervention and is associated with earlier GA at delivery, higher risk of PPROM < 34 weeks' gestation and preterm delivery < 32 weeks and lower neonatal survival. Given the limitations of this meta‐analysis and lack of literature reporting on other types of fetoscopic intervention, the presented findings should be interpreted with caution and should not be generalized to fetoscopic procedures used to treat other fetal conditions. © 2021 International Society of Ultrasound in Obstetrics and Gynecology.
Assessment of levator hiatal area using 3D/4D transperineal ultrasound in women with deep infiltrating endometriosis and superficial dyspareunia treated with pelvic floor muscle physiotherapy: randomized controlled trial
Authors: Del Forno S. , Arena A. , Pellizzone V. , Lenzi J. , Raimondo D. , Cocchi L. , Paradisi R. , Youssef A. , Casadio P. , Seracchioli R.
Published: January 2021

Objectives

Deep infiltrating endometriosis (DIE) is associated with chronic pelvic pain, dyspareunia and pelvic floor muscle hypertonia. The primary aim of this study was to evaluate the effect of pelvic floor physiotherapy (PFP) on the area of levator ani hiatus during Valsalva maneuver, assessed using transperineal ultrasound, in women with DIE suffering from superficial dyspareunia.

Methods

This was a randomized controlled trial of 34 nulliparous women diagnosed with DIE and associated superficial dyspareunia. After an initial clinical examination, all patients underwent three‐dimensional/four‐dimensional (3D/4D) transperineal ultrasound to measure the levator hiatal area (LHA) at rest, on maximum pelvic floor muscle contraction and on maximum Valsalva maneuver, and were asked to rate their pain symptoms using a numerical rating scale (NRS). Eligible women were assigned randomly (1:1 ratio) to no intervention (control group, 17 women) or treatment with five individual sessions of PFP (study group, 17 women). Four months after the first examination, all women underwent a second evaluation of pain symptoms and LHA on transperineal ultrasound. The primary outcome measure was the percentage change in LHA on maximum Valsalva maneuver between the baseline and follow‐up examinations. The percentage changes in pain symptoms between the two examinations, including superficial and deep dyspareunia, dysmenorrhea, chronic pelvic pain, dysuria and dyschezia, were also evaluated.

Results

Thirty women, comprising 17 in the study group and 13 in the control group, completed the study and were included in the analysis. The percentage change in LHA on maximum Valsalva maneuver between the two examinations was higher in the study group than in the control group (20.0 ± 24.8% vs –0.5 ± 3.3%; P = 0.02), indicating better pelvic floor muscle relaxation. After PFP treatment, the NRS score for superficial dyspareunia remained almost unchanged in the control group (median change in NRS (Δ‐NRS), 0 (interquartile range (IQR), 0–0)) while a marked reduction was observed in the study group (median Δ‐NRS, –3 (IQR, –4 to –2); P < 0.01). Moreover, there was a significant difference between the PFP and control groups with regards to the change in chronic pelvic pain (median Δ‐NRS, 0 (IQR, –2 to 0) vs 0 (IQR, 0–1); P = 0.01).

Conclusions

In women with DIE, PFP seems to result in increased LHA on Valsalva maneuver, as observed by 3D/4D transperineal ultrasound, leading to improved superficial dyspareunia, chronic pelvic pain and pelvic floor muscle relaxation. © 2020 International Society of Ultrasound in Obstetrics and Gynecology
Pestivirus apparent prevalence in sheep and goats in Northern Ireland: A serological survey
Authors: Campbell Emma , McConville James , Clarke Joe , Donaghy Aoibheann , Moyce Asa , Byrne Andrew W. , Verner Sharon , Strain Sam , McKeown Ignatius M. , Borne Paul , Guelbenzu‐Gonzalo Maria
Published: January 2021

Background: Bovine viral diarrhoea virus (BVDV) and border disease virus (BDV) can cause significant health problems in ruminants and economic impacts for farmers. The aim of this study was to evaluate pestivirus exposure in Northern Ireland sheep and goat flocks, and to compare findings with a previous study from the region.

Methods: Up to 20 animals were sampled from 188 sheep and 9 goat flocks (n = 3,418 animals; 3,372 sheep and 46 goats) for pestivirus antibodies. Differentiation of the causative agent in positive samples was inferred using serum neutralisation. Abortion samples from 177 ovine cases were tested by BVDV reverse‐transcription polymerase chain reaction and antigen ELISA.

Results: Apparent animal and flock (one antibody positive animal within a flock) prevalence was 1.7% and 17.3%, respectively, a statistically significant drop in apparent prevalence since a survey in 1999. 52.6% of samples testing positive had higher antibody titres to BVDV than to BDV. Of the ovine abortion samples, only one positive foetal fluid sample was detected by ELISA.

Conclusion: The present study found that, since 1999, there has been a decrease in apparent animal and flock prevalence of 3.7 and 12.8 percentage points respectively, suggesting pestivirus prevalence has decreased across Northern Ireland between 1999 and 2018.
Preparation and characterization of PVC/CsxWO3 composite film with excellent near‐infrared light shielding and high visible light transmission
Authors: Su Keshun , Mao Zepeng , Yang Zhangbin , Zhang Jun
Published: January 2021

Near‐infrared (NIR) shielding is essential not only in the building and automobile glass films but also in achieving energy conservation. However, effectively shielding NIR and maintaining high transmittance in the visible light region have been great challenges in the past decade. Recently, hexagonal cesium tungsten bronze (CsxWO3) nanoparticles have been widely studied due to the excellent transparency in the visible light region and strong heat‐shielding ability in the NIR region. Herein, a design concept of transparent polyvinyl chloride (PVC)/CsxWO3 composite film, as a heat insulation material for glasses, was proposed. To achieve this purpose, the PVC/CsxWO3 composite film was prepared by incorporating CsxWO3 slurry with better dispersion than traditional CsxWO3 nanoparticles powder into a transparent PVC matrix. By the UV‐Vis‐NIR spectrophotometer characterization, the PVC/CsxWO3 composite film containing 2.1 phr CsxWO3 slurry displays high blocking of NIR (78%) and high transmittance of visible light (76%). In order to further understand the actual heat insulation effect from the PVC/CsxWO3 composite films, the indoor sunlight simulation test and outdoor cooling experiment with solar illumination variations were carried out, which both showed heat insulation that is superior to the antimony tin oxide and indium tin oxide thin films prepared in our previous work. In addition, the mechanical property of PVC/CsxWO3 composite films shows almost no change with the increase of CsxWO3 slurry. The PVC/CsxWO3 composite films simultaneously achieve excellent shielding of NIR and high transmittance of visible light, which makes it an ideal material to alleviate the current building energy consumption issues.
Development and application of quantum mechanics/molecular mechanics methods with advanced polarizable potentials
Authors: Nochebuena Jorge , Naseem‐Khan Sehr , Cisneros G. Andrés
Published: January 2021

Quantum mechanics/molecular mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is in the investigation of reaction mechanisms in condensed‐phase and biological systems. The combination of QM and MM methods to represent a system gives rise to several challenges that need to be addressed. The increase in computational speed has allowed the expanded use of more complicated and accurate methods for both QM and MM simulations. Here, we review some approaches that address several common challenges encountered in QM/MM simulations with advanced polarizable potentials, from methods to account for boundary across covalent bonds and long‐range effects, to polarization and advanced embedding potentials.

This article is categorized under:

Electronic Structure Theory > Combined QM/MM Methods

Molecular and Statistical Mechanics > Molecular Interactions

Software > Simulation Methods
Metabolic patterns reveal enhanced anammox activity at low nitrogen conditions in the integrated I‐ABR
Authors: Pan Juejun , Huo Tangran , Yang Hui , Li Zhenshan , Chen Liming , Niu Zhao , Ni Shouqing , Liu Sitong
Published: January 2021

Substrate concentrations greatly influence bacterial growth and metabolism. However, optimal nitrogen concentrations for anammox bacteria in nitrogen‐limited environments remain unclear. Here, we observed enhanced nitrogen metabolism and anabolism of anammox bacteria at low nitrogen conditions. Efficient nitrogen removal was achieved at ammonium and nitrite influent concentration of 30 mg/L under HRT of 1 hr, with an average nitrogen removal rate (NRR) of 0.73 kg N/(m3·day) in I‐ABR composed of four compartments. The highest anammox activity of 6.25 mmol N/ (gVSS·hr) was observed in the fourth compartment (C4) with the lowest substrate levels (ammonium and nitrite of 11.6 mg/L and 7 mg/L). This could be resulted from the highest expression level of genes involved in nitrogen metabolism in C4, which was 1.49–1.67 times higher than that in other compartments. Besides, the second compartment (C2) exhibited the most active anabolism at ammonium and nitrite of 17 mg/L and 13 mg/L, respectively, which contributed to the most active amino acid synthesis and thus the highest EPS (1.35 times higher) in C2. This enhanced amino acid auxotrophy between anammox bacteria with heterotrophs, and consequently, heterotrophs thrived and competed for nitrite. These results hint at the potential application of anammox process in micro‐polluted water.

Practitioner points

High nitrogen removal and efficient biomass retention at low nitrogen concentrations under short HRT was achieved in I‐ABR.

Optimal concentrations for anammox nitrogen removal and anabolism were discussed under low nitrogen concentrations.

More active anabolism contributed to enhanced amino acid synthesis and thus higher EPS contents.

Low substrate levels led to enhanced expression of genes involved in nitrogen metabolism and thus high anammox activity.
The clinical significance of duration of untreated psychosis: an umbrella review and random‐effects meta‐analysis
Authors: Howes Oliver D. , Whitehurst Thomas , Shatalina Ekaterina , Townsend Leigh , Onwordi Ellis Chika , Mak Tsz Lun Allenis , Arumuham Atheeshaan , O’Brien Oisín , Lobo Maria , Vano Luke , Zahid Uzma , Butler Emma , Osugo Martin
Published: January 2021

The idea that a longer duration of untreated psychosis (DUP) leads to poorer outcomes has contributed to extensive changes in mental health ser­vices worldwide and has attracted considerable research interest over the past 30 years. However, the strength of the evidence underlying this notion is unclear. To address this issue, we conducted an umbrella review of available meta‐analyses and performed a random‐effects meta‐analysis of primary studies. MEDLINE, Web of Science, PsycINFO and EMBASE were searched from inception to September 3, 2020 to identify relevant meta‐analyses of studies including patients with schizophrenia spectrum disorders, first‐episode psychosis, or affective and non‐affective psychosis. Thirteen meta‐analyses were included, corresponding to 129 individual studies with a total sample size of 25,657 patients. We detected potential violations of statistical assumptions in some of these meta‐analyses. We therefore conducted a new random‐effects meta‐analysis of primary studies. The association between DUP and each outcome was graded according to a standardized classification into convincing, highly suggestive, suggestive, weak, or non‐significant. At first presentation, there was suggestive evidence for a relationship between longer DUP and more severe negative symptoms (beta=–0.07, p=3.6×10–5) and higher chance of previous self‐harm (odds ratio, OR=1.89, p=1.1×10–5). At follow‐up, there was highly suggestive evidence for a relationship between longer DUP and more severe positive symptoms (beta=–0.16, p=4.5×10–8), more severe negative symptoms (beta=–0.11, p=3.5×10–10) and lower chance of remission (OR=2.16, p=3.0×10–10), and suggestive evidence for a relationship between longer DUP and poorer overall functioning (beta=–0.11, p=2.2×10–6) and more severe global psychopathology (beta=–0.16, p=4.7×10–6). Results were unchanged when analysis was restricted to prospective studies. These effect sizes are clinically meaningful, with a DUP of four weeks predicting >20% more severe symptoms at follow‐up relative to a DUP of one week. We conclude that DUP is an important prognostic factor at first presentation and predicts clinically relevant outcomes over the course of illness. We discuss conceptual issues in DUP research and methodological limitations of current evidence, and provide recommendations for future research.
Hierarchical models of psychopathology: empirical support, implications, and remaining issues
Authors: Lahey Benjamin B. , Moore Tyler M. , Kaczkurkin Antonia N. , Zald David H.
Published: January 2021

There is an ongoing revolution in psychology and psychiatry that will likely change how we conceptualize, study and treat psychological problems.­ Many theorists now support viewing psychopathology as consisting of continuous dimensions rather than discrete diagnostic categories. Indeed, recent papers have proposed comprehensive taxonomies of psychopathology dimensions to replace the DSM and ICD taxonomies of categories. The proposed dimensional taxonomies, which portray psychopathology as hierarchically organized correlated dimensions, are now well supported at phenotypic levels. Multiple studies show that both a general factor of psychopathology at the top of the hierarchy and specific factors at lower levels predict different functional outcomes. Our analyses of data on a large representative sample of child and adolescent twins suggested the causal hypothesis that phenotypic correlations among dimensions of psychopathology are the result of many familial influences being pleiotropic. That is, most genetic variants and shared environmental factors are hypothesized to non‐specifically influence risk for multiple rather than individual dimensions of psychopathology. In contrast, person‐specific experiences tend to be related to individual dimensions. This hierarchical causal hypothesis has been supported by both large‐scale family and molecular genetic studies. Current research focuses on three issues. First, the field has not settled on a preferred statistical model for studying the hierarchy of causes and phenotypes. Second, in spite of encouraging progress, the neurobiological correlates of the hierarchy of dimensions of psychopathology are only partially described. Third, although there are potentially important clinical implications of the hierarchical model, insufficient research has been conducted to date to rec­ommend evidence‐based clinical practices.
An organization‐ and category‐level comparison of diagnostic requirements for mental disorders in ICD‐11 and DSM‐5
Authors: First Michael B. , Gaebel Wolfgang , Maj Mario , Stein Dan J. , Kogan Cary S. , Saunders John B. , Poznyak Vladimir B. , Gureje Oye , Lewis‐Fernández Roberto , Maercker Andreas , Brewin Chris R. , Cloitre Marylene , Claudino Angelica , Pike Kathleen M. , Baird Gillian , Skuse David , Krueger Richard B. , Briken Peer , Burke Jeffrey D. , Lochman John E. , Evans Spencer C. , Woods Douglas W. , Reed Geoffrey M.
Published: January 2021

In 2013, the American Psychiatric Association (APA) published the 5th edition of its Diagnostic and Statistical Manual of Mental Disorders (DSM‐5). In 2019, the World Health Assembly approved the 11th revision of the International Classification of Diseases (ICD‐11). It has often been suggested that the field would benefit from a single, unified classification of mental disorders, although the priorities and constituencies of the two sponsoring organizations are quite different. During the development of the ICD‐11 and DSM‐5, the World Health Organization (WHO) and the APA made efforts toward harmonizing the two systems, including the appointment of an ICD‐DSM Harmonization Group. This paper evaluates the success of these harmonization efforts and provides a guide for practitioners, researchers and policy makers describing the differences between the two systems at both the organizational and the disorder level. The organization of the two classifications of mental disorders is substantially similar. There are nineteen ICD‐11 disorder categories that do not appear in DSM‐5, and seven DSM‐5 disorder categories that do not appear in the ICD‐11. We compared the Essential Features section of the ICD‐11 Clinical Descriptions and Diagnostic Guidelines (CDDG) with the DSM‐5 criteria sets for 103 diagnostic entities that appear in both systems. We rated 20 disorders (19.4%) as having major differences, 42 disorders (40.8%) as having minor definitional differences, 10 disorders (9.7%) as having minor differences due to greater degree of specification in DSM‐5, and 31 disorders (30.1%) as essentially identical. Detailed descriptions of the major differences and some of the most important minor differences, with their rationale and related evidence, are provided. The ICD and DSM are now closer than at any time since the ICD‐8 and DSM‐II. Differences are largely based on the differing priorities and uses of the two diagnostic systems and on differing interpretations of the evidence. Substantively divergent approaches allow for empirical comparisons of validity and utility and can contribute to advances in the field.
Identification of proteins responsive to heterologous protein production in thermotolerant methylotrophic yeast Ogataea thermomethanolica TBRC656
Authors: Phithakrotchanakoon Chitwadee , Puseenam Aekkachai , Kruasuwan Worarat , Likhitrattanapisal Somsak , Phaonakrop Narumon , Roytrakul Sittiruk , Ingsriswang Supawadee , Tanapongpipat Sutipa , Roongsawang Niran
Published: January 2021

The thermotolerant methylotrophic yeast Ogataea thermomethanolica TBRC656 is a potential host for heterologous protein production. However, overproduction of heterologous protein can induce cellular stress and limit the level of its secretion. To improve the secretion of heterologous protein, we identified the candidate proteins with altered production during production of heterologous protein in O. thermomethanolica by using a label‐free comparative proteomic approach. Four hundred sixty‐four proteins with various biological functions showed differential abundance between O. thermomethanolica expressing fungal xylanase (OT + Xyl) and a control strain. The induction of proteins in transport and proteasomal proteolysis was prominently observed. Eight candidate proteins involved in cell wall biosynthesis (Chs3, Gas4), chaperone (Sgt2, Pex19), glycan metabolism (Csf1), protein transport (Ypt35), and vacuole and protein sorting (Cof1, Npr2) were mutated by a CRISPR/Cas9 approach. An Sgt2 mutant showed higher phytase and xylanase activity compared with the control strain (13%–20%), whereas mutants of other genes including Cof1, Pex19, Gas4, and Ypt35 showed lower xylanase activity compared with the control strain (15%–25%). In addition, an Npr2 mutant showed defective growth, while overproduction of Npr2 enhanced xylanase activity. These results reveal genes that can be mutated to modulate heterologous protein production and growth of O. thermomethanolica TBRC656.
Gravitational memory effects and Bondi-Metzner-Sachs symmetries in scalar-tensor theories
Authors: Hou Shaoqi , Zhu Zong-Hong
Published: January 2021

Abstract

The relation between gravitational memory effects and Bondi-Metzner-Sachs symmetries of the asymptotically flat spacetimes is studied in the scalar-tensor theory. For this purpose, the solutions to the equations of motion near the future null infinity are obtained in the generalized Bondi-Sachs coordinates with a suitable determinant condition. It turns out that the Bondi-Metzner-Sachs group is also a semi-direct product of an infinite dimensional supertranslation group and the Lorentz group as in general relativity. There are also degenerate vacua in both the tensor and the scalar sectors in the scalar-tensor theory. The supertranslation relates the vacua in the tensor sector, while in the scalar sector, it is the Lorentz transformation that transforms the vacua to each other. So there are the tensor memory effects similar to the ones in general relativity, and the scalar memory effect, which is new. The evolution equations for the Bondi mass and angular momentum aspects suggest that the null energy fluxes and the angular momentum fluxes across the null infinity induce the transition among the vacua in the tensor and the scalar sectors, respectively.
Transformed tissue of Dionaea muscipula J. Ellis as a source of biologically active phenolic compounds with bactericidal properties
Authors: Makowski Wojciech , Królicka Aleksandra , Nowicka Anna , Zwyrtková Jana , Tokarz Barbara , Pecinka Ales , Banasiuk Rafał , Tokarz Krzysztof Michał
Published: January 2021

The Venus flytrap (Dionaea muscipula J. Ellis) is a carnivorous plant able to synthesize large amounts of phenolic compounds, such as phenylpropanoids, flavonoids, phenolic acids, and 1,4-naphtoquinones. In this study, the first genetic transformation of D. muscipula tissues is presented. Two wild-type Rhizobium rhizogenes strains (LBA 9402 and ATCC 15834) were suitable vector organisms in the transformation process. Transformation led to the formation of teratoma (transformed shoot) cultures with the bacterial rolB gene incorporated into the plant genome in a single copy. Using high-pressure liquid chromatography, we demonstrated that transgenic plants were characterized by an increased quantity of phenolic compounds, including 1,4-naphtoquinone derivative, plumbagin (up to 106.63 mg × g−1 DW), and phenolic acids (including salicylic, caffeic, and ellagic acid), in comparison to non-transformed plants. Moreover, Rhizobium-mediated transformation highly increased the bactericidal properties of teratoma-derived extracts. The antibacterial properties of transformed plants were increased up to 33% against Staphylococcus aureus, Enterococcus faecalis, and Escherichia coli and up to 7% against Pseudomonas aeruginosa. For the first time, we prove the possibility of D. muscipula transformation. Moreover, we propose that transformation may be a valuable tool for enhancing secondary metabolite production in D. muscipula tissue and to increase bactericidal properties against human antibiotic-resistant bacteria.

Key points

• Rhizobium-mediated transformation created Dionaea muscipula teratomas.

• Transformed plants had highly increased synthesis of phenolic compounds.

• The MBC value was connected with plumbagin and phenolic acid concentrations.
Trends, insights and effects of the Urban Wastewater Treatment Directive (91/271/EEC) implementation in the light of the Polish coastal zone eutrophication
Authors: Preisner Michał , Smol Marzena , Szołdrowska Dominika
Published: January 2021

The intensification of the Baltic Sea eutrophication is associated with the increase of anthropogenic nutrients loads, mainly nitrogen and phosphorus introduced into surface waters from a diffuse, point and natural background sources. Despite the observed decreasing trends in nutrient concentrations in some parts of the Baltic Sea, eutrophication-related indicators continue to deteriorate. This accelerates harmful algal blooms and dissolved oxygen deficits resulting in severe ecosystem disturbance. The paper presents trends, insights and effects of the Urban Wastewater Treatment Directive 91/271/EEC implementation in Poland based on the nutrient riverine loads from Polish territory with particular attention given to the development of municipal wastewater treatment plants under the National Wastewater Treatment Programme 2003–2016. Environmental effects of wastewater infrastructure modernisation are investigated by using available data on the changing nutrient concentrations in the coastal water in 3 basins (Gdansk Basin, Bornholm Basin and Eastern Gotland Basin) belonging to the Polish Exclusive Economic Zone within the Baltic Sea. The results show that the decreasing trend regarding phosphorus loads reduction from municipal effluents was achieved while a stable trend with temporary increases was achieved in terms of nitrogen loads. Moreover, the investigation provides information about the potential bioavailability of discharged effluents before and after the Directive implementation by including total and inorganic forms of nitrogen and phosphorus in the analysis.
DGK and DZHK position paper on genome editing: basic science applications and future perspective
Authors: Brandes Ralf P. , Dueck Anne , Engelhardt Stefan , Kaulich Manuel , Kupatt Christian , De Angelis Maria Teresa , Leisegang Matthias S. , le Noble Ferdinand , Moretti Alessandra , Müller Oliver J. , Skryabin Boris V. , Thum Thomas , Wurst Wolfgang
Published: January 2021

For a long time, gene editing had been a scientific concept, which was limited to a few applications. With recent developments, following the discovery of TALEN zinc-finger endonucleases and in particular the CRISPR/Cas system, gene editing has become a technique applicable in most laboratories. The current gain- and loss-of function models in basic science are revolutionary as they allow unbiased screens of unprecedented depth and complexity and rapid development of transgenic animals. Modifications of CRISPR/Cas have been developed to precisely interrogate epigenetic regulation or to visualize DNA complexes. Moreover, gene editing as a clinical treatment option is rapidly developing with first trials on the way. This article reviews the most recent progress in the field, covering expert opinions gathered during joint conferences on genome editing of the German Cardiac Society (DGK) and the German Center for Cardiovascular Research (DZHK). Particularly focusing on the translational aspect and the combination of cellular and animal applications, the authors aim to provide direction for the development of the field and the most frequent applications with their problems.