bluuebunny/crossref_metadata_2025 huggingface dataset:
In-situ TD-GCMS measurements of oxidative products of monoterpenes at typical vaping temperatures: implications for inhalation exposure to vaping products
Authors: Zhu Jiping , Niu Jianjun , Das Dharani , Cabecinha Ashley , Abramovici Hanan
Published: June 2022

Vaping is gaining in popularity. However, there is still much that remains unknown about the potential risk and harms of vaping. Formation of oxidative products is one of such areas that are not well understood. In this study, we used an in-situ thermal desorption GC/MS method to investigate the formation of oxidative products of several monoterpenes at or below typical vaping temperatures. Among the five tested monoterpenes, the unchanged portion of the parent compound in the vapour varied from 97 to 98% for myrcene to 11–28% for terpinolene. The majority of formed oxidative products in the vapour have a molecular weight of 134 (loss of two hydrogens), 150 (insertion of one oxygen and loss of two hydrogen atoms) or 152 (insertion of one oxygen atom). Three products, likely to be p-(1-propenyl)-toluene, β-pinone and fenchol were also observed. This is the first in-situ thermal desorption GC/MS study to investigate the possible formation of oxidative products of monoterpenes, one of the major components in vaping liquids, at temperatures that are relevant to the vaping process. Although the toxicity of inhaling these oxidative products is not clear yet, allergic and irritation reactions associated with oxidized monoterpene oils are well documented. Therefore, potential adverse effects of inhaling these oxidative products during vaping could be investigated to help support human risk assessment.
Quantum decision making in automatic driving
Authors: Song Qingyuan , Fu Weiping , Wang Wen , Sun Yuan , Wang Denggui , Zhou Jincao
Published: June 2022

The behavior intention estimation and interaction between Autonomous Vehicles (AV) and human traffic participants are the key problems in Automatic Driving System (ADS). When the classical decision theory studies implicitly assume that the behavior of human traffic participants is completely rational. However, according to the booming quantum decision theory in recent years and actual traffic cases, traffic behaviors and other human behaviors are often irrational and violate the assumptions of classical cognitive and decision theory. This paper explores the decision-making problem in the two-car game scene based on quantum decision theory and compares it with the current mainstream method of studying irrational behavior-Cumulative Prospect Theory (CPT) model. The comparative analysis proved that the Quantum Game Theory (QGT) model can explain the separation effect which the classical probability model can’t reveal, and it has more advantages than CPT model in dealing with game scene decision-making. When two cars interact with each other, the QGT model can consider the interests of both sides from the perspective of the other car. Compared with the classical probability model and CPT model, the QGT is more realistic in the behavior decision-making of ADS.
American dog ticks along their expanding range edge in Ontario, Canada
Authors: Nelder Mark P. , Russell Curtis B. , Johnson Steven , Li Ye , Cronin Kirby , Cawston Tania , Patel Samir N.
Published: June 2022

The American dog tick,Dermacentorvariabilis, is a tick of public and veterinary health importance in North America. Using passive tick surveillance data, we document distribution changes for the American dog tick in Ontario, Canada, from 2010 through 2018.Dermacentorvariabilissubmissions from the public were geocoded and aggregated—from large to small administrative geographies—by health region, public health unit (PHU) and Forward Sortation Area (FSA). PHU hot spots with high rates ofD.variabilissubmissions were (1) Brant County, Haldimand-Norfolk and Niagara Regional in the Central West region and (2) Lambton and Winsor-Essex County in the South West region. The number of establishedD.variabilispopulations with ≥ 6 submissions per year increased significantly during the study at regional (PHUs: 22 to 31) and local (FSAs: 27 to 91) scales. The range ofD.variabilisincreased similarly to the positive control (Ixodesscapularis) during the study and in contrast to the static range of the negative control (Ixodescookei). Submission hot spots were in warmer, low elevation areas with poorly drained soils, compared to the province’s low submission areas.Dermacentorvariabilisis spreading in Ontario and continued research into their vector ecology is required to assess medicoveterinary health risks.
Detecting overlapping communities in complex networks using non-cooperative games
Authors: Ferdowsi Farhad , Aghababaei Samani Keivan
Published: June 2022

Detecting communities in complex networks is of paramount importance, and its wide range of real-life applications in various areas has caused a lot of attention to be paid to it, and many efforts have been made to have efficient and accurate algorithms for this purpose. In this paper, we proposed a non-cooperative game theoretic-based algorithm that is able to detect overlapping communities. In this algorithm, nodes are regarded as players, and communities are assumed to be groups of players with similar strategies. Our two-phase algorithm detects communities and the overlapping nodes in separate phases that, while increasing the accuracy, especially in detecting overlapping nodes, brings about higher algorithm speed. Moreover, there is no need for setting parameters regarding the size or number of communities, and the absence of any stochastic process caused this algorithm to be stable. By appropriately adjusting stop criteria, our algorithm can be categorized among those with linear time complexity, making it highly scalable for large networks. Experiments on synthetic and real-world networks demonstrate our algorithm’s good performance compared to similar algorithms in terms of detected overlapping nodes, detected communities size distribution, modularity, and normalized mutual information.
Effect of body position on the redistribution of regional lung aeration during invasive and non-invasive ventilation of COVID-19 patients
Authors: Dos Santos Rocha André , Diaper John , Balogh Adam L. , Marti Christophe , Grosgurin Olivier , Habre Walid , Peták Ferenc , Südy Roberta
Published: June 2022

Severe COVID-19-related acute respiratory distress syndrome (C-ARDS) requires mechanical ventilation. While this intervention is often performed in the prone position to improve oxygenation, the underlying mechanisms responsible for the improvement in respiratory function during invasive ventilation and awake prone positioning in C-ARDS have not yet been elucidated. In this prospective observational trial, we evaluated the respiratory function of C-ARDS patients while in the supine and prone positions during invasive (n = 13) or non-invasive ventilation (n = 15). The primary endpoint was the positional change in lung regional aeration, assessed with electrical impedance tomography. Secondary endpoints included parameters of ventilation and oxygenation, volumetric capnography, respiratory system mechanics and intrapulmonary shunt fraction. In comparison to the supine position, the prone position significantly increased ventilation distribution in dorsal lung zones for patients under invasive ventilation (53.3 ± 18.3% vs. 43.8 ± 12.3%, percentage of dorsal lung aeration ± standard deviation in prone and supine positions, respectively; p = 0.014); whereas, regional aeration in both positions did not change during non-invasive ventilation (36.4 ± 11.4% vs. 33.7 ± 10.1%; p = 0.43). Prone positioning significantly improved the oxygenation both during invasive and non-invasive ventilation. For invasively ventilated patients reduced intrapulmonary shunt fraction, ventilation dead space and respiratory resistance were observed in the prone position. Oxygenation is improved during non-invasive and invasive ventilation with prone positioning in patients with C-ARDS. Different mechanisms may underly this benefit during these two ventilation modalities, driven by improved distribution of lung regional aeration, intrapulmonary shunt fraction and ventilation-perfusion matching. However, the differences in the severity of C-ARDS may have biased the sensitivity of electrical impedance tomography when comparing positional changes between the protocol groups.

Trial registration: ClinicalTrials.gov (NCT04359407) and Registered 24 April 2020, https://clinicaltrials.gov/ct2/show/NCT04359407.
The influence of meteorological factors and terrain on air pollution concentration and migration: a geostatistical case study from Krakow, Poland
Authors: Danek Tomasz , Weglinska Elzbieta , Zareba Mateusz
Published: June 2022

Despite the very restrictive laws, Krakow is known as the city with the highest level of air pollution in Europe. It has been proven that, due to its location, air pollutants are transported to this city from neighboring municipalities. In this study, a complex geostatistical approach for spatio-temporal analysis of particulate matter (PM) concentrations was applied. For background noise reduction, data were recorded during the COVID-19 lockdown using 100 low-cost sensors and were validated based on indications from reference stations. Standardized Geographically Weighted Regression, local Moran’s I spatial autocorrelation analysis, and Getis–Ord Gi* statistic for hot-spot detection with Kernel Density Estimation maps were used. The results indicate the relation between the topography, meteorological variables, and PM concentrations. The main factors are wind speed (even if relatively low) and terrain elevation. The study of the PM2.5/PM10 ratio allowed for a detailed analysis of spatial pollution migration, including source differentiation. This research indicates that Krakow’s unfavorable location makes it prone to accumulating pollutants from its neighborhood. The main source of air pollution in the investigated period is solid fuel heating outside the city. The study shows the importance and variability of the analyzed factors’ influence on air pollution inflow and outflow from the city.
The close interaction between hypoxia-related proteins and metastasis in pancarcinomas
Authors: López-Cortés Andrés , Prathap Lavanya , Ortiz-Prado Esteban , Kyriakidis Nikolaos C. , León Cáceres Ángela , Armendáriz-Castillo Isaac , Vera-Guapi Antonella , Yumiceba Verónica , Simbaña-Rivera Katherine , Echeverría-Garcés Gabriela , García-Cárdenas Jennyfer M. , Pérez-Villa Andy , Guevara-Ramírez Patricia , Abad-Sojos Andrea , Bautista Jhommara , Puig San Andrés Lourdes , Varela Nelson , Guerrero Santiago
Published: June 2022

Many primary-tumor subregions exhibit low levels of molecular oxygen and restricted access to nutrients due to poor vascularization in the tissue, phenomenon known as hypoxia. Hypoxic tumors are able to regulate the expression of certain genes and signaling molecules in the microenvironment that shift it towards a more aggressive phenotype. The transcriptional landscape of the tumor favors malignant transformation of neighboring cells and their migration to distant sites. Herein, we focused on identifying key proteins that participate in the signaling crossroads between hypoxic environment and metastasis progression that remain poorly defined. To shed light on these mechanisms, we performed an integrated multi-omics analysis encompassing genomic/transcriptomic alterations of hypoxia-related genes and Buffa hypoxia scores across 17 pancarcinomas taken from the PanCancer Atlas project from The Cancer Genome Atlas consortium, protein–protein interactome network, shortest paths from hypoxia-related proteins to metastatic and angiogenic phenotypes, and drugs involved in current clinical trials to treat the metastatic disease. As results, we identified 30 hypoxia-related proteins highly involved in metastasis and angiogenesis. This set of proteins, validated with the MSK-MET Project, could represent key targets for developing therapies. The upregulation of mRNA was the most prevalent alteration in all cancer types. The highest frequencies of genomic/transcriptomic alterations and hypoxia score belonged to tumor stage 4 and positive metastatic status in all pancarcinomas. The most significantly associated signaling pathways were HIF-1, PI3K-Akt, thyroid hormone, ErbB, FoxO, mTOR, insulin, MAPK, Ras, AMPK, and VEGF. The interactome network revealed high-confidence interactions among hypoxic and metastatic proteins. The analysis of shortest paths revealed several ways to spread metastasis and angiogenesis from hypoxic proteins. Lastly, we identified 23 drugs enrolled in clinical trials focused on metastatic disease treatment. Six of them were involved in advanced-stage clinical trials: aflibercept, bevacizumab, cetuximab, erlotinib, ipatasertib, and panitumumab.
Effects of seawater sulfur starvation and enrichment on Gracilaria gracilis growth and biochemical composition
Authors: Mensi Fethi , Ben Ghedifa Aziz , Rajhi Hayfa
Published: June 2022

The genus Gracilaria, largest biomass producer in coastal regions, encompasses a wide range of species includingGracilaria gracilis. Nowadays, there is a spate of interest in its culture in lagoon where the water sulfate concentration is variable. A laboratory culture was carried out to determine the sulfate concentration effect on their growth as well as their biochemical composition, which were 2.5, 27 or 50 mM, referred to as SSS (sulfur starved seawater), SW (seawater) and SES (sulfur enriched seawater).We found that the sulfate content of the surrounding medium is a key parameter influencing both the alga growth and its composition. However, seawater proved to be the most suitable environment to sustain alga growth, proteins, R-phycoerythrin and agar yields, but sulfur enrichment and starvation affects them. The sulfate degree of agar and therefore its quality is related to the medium sulfate concentration. We conclude that sulfur starvation (2.5 mM) for three weeks, led to severe growth retardation, lower agar yield and quality and indicated the limit potential ofG. gracilisfor mariculture under these conditions. These results demonstrated that the success ofG. gracilisculture in the lagoon is feasible if sulfate concentration is closer to that of seawater.
Prediction of all-cause and cardiovascular mortality using ankle-brachial index and brachial-ankle pulse wave velocity in patients with type 2 diabetes
Authors: Lin Cheng-Chieh , Li Chia-Ing , Liu Chiu-Shong , Lin Chih-Hsueh , Yang Shing-Yu , Li Tsai-Chung
Published: June 2022

Ankle-brachial index (ABI) and brachial-ankle pulse wave velocity (baPWV) are used as non-invasive indicators for detecting atherosclerosis and arterial stiffness, two well-known predictors of mortality in patients with type 2 diabetes mellitus (T2DM). ABI and baPWV have independent associations with mortality; however, their joint and interactive effects on mortality have not been assessed in patients with T2DM. This work aims to evaluate the independent, joint, and interactive associations of ABI and baPWV with all-cause and expanded cardiovascular disease (CVD) mortality in patients with T2DM. This observational study included 2160 patients with T2DM enlisted in the Diabetes Care Management Program database of China Medical University Hospital from 2001 to 2016 and then followed their death status until August 2021. Cox proportional hazard models were used to evaluate the independent, joint, and interactive effects of ABI and baPWV on the risk of all-cause and expanded CVD mortality. A total of 474 patient deaths occurred after a mean follow-up of 8.4 years, and 268 of which were attributed to cardiovascular events. Abnormal ABI (≤ 0.9) and highest baPWV quartile were independently associated with increased risks of all-cause [ABI: hazard ratio (HR) 1.67, 95% confidence interval (CI) 1.30–2.11; baPWV: 1.63, 1.16–2.27] and expanded CVD mortality (ABI: 2.21, 1.62–3.02; baPWV: 1.75, 1.09–2.83). The combination of abnormal ABI (≤ 0.9) and highest baPWV quartile was associated with a significantly higher risk of all-cause (4.51, 2.50–8.11) and expanded CVD mortality (9.74, 4.21–22.51) compared with that of the combination of normal ABI and lowest baPWV quartile. Significant interactions were observed between ABI and baPWV in relation to all-cause and expand CVD mortality (both p for interaction < 0.001). Through their independent, joint, and interactive effects, ABI and baPWV are significant parameters that can improve the prediction of all-cause and expanded CVD mortality in patients with T2DM and help identify high-risk patients who may benefit from diabetes care.
Function-specific IL-17A and dexamethasone interactions in primary human airway epithelial cells
Authors: Rahmawati Siti Farah , Vos Rémon , Bos I. Sophie T. , Kerstjens Huib A. M. , Kistemaker Loes E. M. , Gosens Reinoud
Published: June 2022

Asthmatics have elevated levels of IL-17A compared to healthy controls. IL-17A is likely to contribute to reduced corticosteroid sensitivity of human airway epithelium. Here, we aimed to investigate the mechanistic underpinnings of this reduced sensitivity in more detail. Differentiated primary human airway epithelial cells (hAECs) were exposed to IL-17A in the absence or presence of dexamethasone. Cells were then collected for RNA sequencing analysis or used for barrier function experiments. Mucus was collected for volume measurement and basal medium for cytokine analysis. 2861 genes were differentially expressed by IL-17A (Padj < 0.05), of which the majority was not sensitive to dexamethasone (< 50% inhibition). IL-17A did inhibit canonical corticosteroid genes, such as HSD11B2 and FKBP5 (p < 0.05). Inflammatory and goblet cell metaplasia markers, cytokine secretion and mucus production were all induced by IL-17A, and these effects were not prevented by dexamethasone. Dexamethasone did reverse IL-17A-stimulated epithelial barrier disruption, and this was associated with gene expression changes related to cilia function and development. We conclude that IL-17A induces function-specific corticosteroid-insensitivity. Whereas inflammatory response genes and mucus production in primary hAECs in response to IL-17A were corticosteroid-insensitive, corticosteroids were able to reverse IL-17A-induced epithelial barrier disruption.
The alcohol dehydrogenase isoenzyme (ADH I) as a marker of intrahepatic cholestasis of pregnancy
Authors: Piechota Joanna , Jelski Wojciech , Orywal Karolina , Mroczko Barbara
Published: June 2022

Intrahepatic cholestasis of pregnancy (ICP) is an important pregnancy liver disorder. The alterations of different enzymes activity in the hepatocytes in the course of liver diseases are reflected in an increase in the activity of the corresponding enzymes in the blood. In present study we assayed the activity of alcohol dehydrogenase (ADH) and its isoenzyme in the serum of patients with ICP. Serum were collected from 100 pregnancies with ICP in the second or third trimester of pregnancy. Serum samples were also taken from 100 healthy pregnant women. The activity of ADH I was measured by spectrofluorometric method, ADH total was measured by photometric method. There was significant increase in the activity of ADH I (2.79 mU/l vs. 1.72 mU/l) and total ADH activity (1103 mU/l vs. 682 mU/l) in the sera of women with ICP compared to the healthy pregnant women. Importantly, the sensitivity and specificity of ADH I for diagnosis of ICP were 85% and 91%, respectively. Area under the Receiver Operating Curve for ADH I in ICP was 0.81. The activity of ADH I in the sera of women with ICP is statistically significantly increased, which may have a diagnostic significance for ICP patients.
Resolution of impaired multisensory processing in autism and the cost of switching sensory modality
Authors: Crosse Michael J. , Foxe John J. , Tarrit Katy , Freedman Edward G. , Molholm Sophie
Published: June 2022

Children with autism spectrum disorders (ASD) exhibit alterations in multisensory processing, which may contribute to the prevalence of social and communicative deficits in this population. Resolution of multisensory deficits has been observed in teenagers with ASD for complex, social speech stimuli; however, whether this resolution extends to more basic multisensory processing deficits remains unclear. Here, in a cohort of 364 participants we show using simple, non-social audiovisual stimuli that deficits in multisensory processing observed in high-functioning children and teenagers with ASD are not evident in adults with the disorder. Computational modelling indicated that multisensory processing transitions from a default state of competition to one of facilitation, and that this transition is delayed in ASD. Further analysis revealed group differences in how sensory channels are weighted, and how this is impacted by preceding cross-sensory inputs. Our findings indicate that there is a complex and dynamic interplay among the sensory systems that differs considerably in individuals with ASD.
C. elegans monitor energy status via the AMPK pathway to trigger innate immune responses against bacterial pathogens
Authors: Ju Shouyong , Chen Hanqiao , Wang Shaoying , Lin Jian , Ma Yanli , Aroian Raffi V. , Peng Donghai , Sun Ming
Published: June 2022

Pathogen recognition and the triggering of host innate immune system are critical to understanding pathogen-host interaction. Cellular surveillance systems have been identified as an important strategy for the identification of microbial infection. In the present study, using Bacillus thuringiensis-Caenorhabditis elegans as a model, we found an approach for surveillance systems to sense pathogens. We report that Bacillus thuringiensis Cry5Ba, a typical pore-forming toxin, caused mitochondrial damage and energy imbalance by triggering potassium ion leakage, instead of directly targeting mitochondria. Interestingly, we find C. elegans can monitor intracellular energy status to trigger innate immune responses via AMP-activated protein kinase (AMPK), secreting multiple effectors to defend against pathogenic attacks. Our study indicates that the imbalance of energy status is a prevalent side effect of pathogen infection. Furthermore, the AMPK-dependent surveillance system may serve as a practicable strategy for the host to recognize and defense against pathogens.
The seasonal evolution of subglacial drainage pathways beneath a soft-bedded glacier
Authors: Hart Jane K. , Young David S. , Baurley Nathaniel R. , Robson Benjamin A. , Martinez Kirk
Published: June 2022

Subglacial hydrology is a key element in glacier response to climate change, but investigations of this environment are logistically difficult. Most models are based on summer data from glaciers resting on rigid bedrocks. However a significant number of glaciers rest on soft (unconsolidated sedimentary) beds. Here we present a unique multi-year instrumented record of the development of seasonal subglacial behavior associated with an Icelandic temperate glacier resting on a deformable sediment layer. We observe a distinct annual pattern in the subglacial hydrology based on self-organizing anastomosing braided channels. Water is stored within the subglacial system itself (till, braided system and ‘ponds’), allowing the rapid access of water to enable glacier speed-up events to occur throughout the year, particularly in winter.
The uptake of metal–organic frameworks: a journey into the cell
Authors: Linnane Emily , Haddad Salame , Melle Francesca , Mei Zihan , Fairen-Jimenez David
Published: June 2022

This review critically evaluates the recent advancements in the understanding of endocytosis of nano-sized metal–organic frameworks and the importance of biological context in aiding MOF rational design and synthesis for drug delivery applications.
Effect of the solvent on the morphology of sulfamerazine crystals and its molecular mechanism
Authors: Li Liang , Ji Xiongtao , Cheng Xiaowei , Li Danning , Wang Ting , Huang Xin , Wang Na , Yin Qiuxiang , Hao Hongxun
Published: June 2022

To have a better understanding on molecular mechanism of crystal morphology manipulation, the effect of the solvent is investigated using different solvents.
Impact of physical and chemical parameters on square wave anodic stripping voltammetry for trace Pb2+ detection in water
Authors: Rahm Connor E , Gupta Pankaj , Gupta Vandna K. , Huseinov Artur , Griesmer Ben , Alvarez Noe T.
Published: June 2022

Exposure to lead, a toxic heavy metal, in drinking water is a worldwide problem.
Gold nanoparticle-based lateral flow immunoassay for the rapid detection of flumetralin in orange
Authors: Xu Xinxin , Lin Lu , Kuang Hua , Liu Liqiang , Xu Liguang , Xu Chuanlai
Published: June 2022

A sensitive monoclonal antibody (mAb) against flumetralin was produced and a gold nanoparticle-based lateral flow immunoassay (LFIA) strip was developed for screening flumetralin in orange.
Colorimetric visualization of histamine secreted by basophils based on DSP-functionalized gold nanoparticles
Authors: Ling Xiaojing , Liu Yongxin , Zhu Danxuan , An Weizhen , Geng Jiaying , Li Lin , Yu Changmin , Wei Ji-Fu
Published: June 2022

In this study, we developed a novel nanosensor, for the first time, to visually detect endogenous histamine changes in activated basophils by simply coupling dithiobis(succinimidylpropionate) on the surface of AuNPs.
Homologues of epigenetic pyrimidines: 5-alkyl-, 5-hydroxyalkyl and 5-acyluracil and -cytosine nucleotides: synthesis, enzymatic incorporation into DNA and effect on transcription with bacterial RNA polymerase
Authors: Gracias Filip , Ruiz-Larrabeiti Olatz , Vaňková Hausnerová Viola , Pohl Radek , Klepetářová Blanka , Sýkorová Veronika , Krásný Libor , Hocek Michal
Published: June 2022

Nucleotides derived from homologues of epigenetic pyrimidine bases were prepared and used for polymerase synthesis of modified DNA templates. Interesting effects of the substituents on PCR and transcription have been observed.
Cancer cell membrane targeting and red light-triggered carbon monoxide (CO) release for enhanced chemotherapy
Authors: Zhao Wei-Nan , Wang Min , Zhang Chen , Sun Shiguo , Xu Yongqian
Published: June 2022

Biomimetic carriers camouflaged with cancer cell membranes, accompanied by red light-triggered intracellular CO release, afford combination therapy with high anti-cancer efficiency and low side effects.
High-conductivity thiocyanate ionic liquid interface engineering for efficient and stable perovskite solar cells
Authors: Wang Shumao , Guo Haodan , Wu Jinpeng , Lei Yan , Li Xiangrong , Fang Yanyan , Dai Yuhua , Xiang Wanchun , Lin Yuan
Published: June 2022

A high-conductivity thiocyanate ionic liquid was employed for the first time in perovskite solar cells, realizing multifunctional defect passivation and interfacial energy alignment.
Zinc acetate-promoted blocking of the ATRA process with alkyl halides enabling photochemical alkylamination of olefins
Authors: Samanta Apurba , Pramanik Shyamal , Mondal Subhashis , Maity Soumitra
Published: June 2022

Introducing Zn(OAc)2 as a blocker in the traditional photo-redox ATRA process, enabling alkylamination of olefins with alkylhalides and nitrile solvent.
Prediction of pH in multiphase multicomponent systems with ePC-SAFT advanced
Authors: Ascani Moreno , Pabsch Daniel , Klinksiek Marcel , Gajardo-Parra Nicolás , Sadowski Gabriele , Held Christoph
Published: June 2022

The fluid theory ePC-SAFT advanced allows modeling phase equilibria of multi-component electrolyte systems and predicting pH values of the participating phases. That is, no adjustable parameters were fitted to experimental pH data.
Structural transformation of metal oxo species within UiO-66 type metal–organic frameworks
Authors: Wasson Megan C. , Xie Haomiao , Wang Xingjie , Duncan Joshua S. , Farha Omar K.
Published: June 2022

A rare example of phase transitions within Th-based MOFs is reported, relevant for nuclear energy and waste management. Further investigations into phase transitions in isostructural frameworks (Zr, Hf, Ce) provide a comparison of different hexanuclear clusters' stabilities.
Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing
Authors: Lv Mei-Xin , Jiang Shan , Wang Chen , Dong Qi , Bai Feng-Ying , Xing Yong-Heng
Published: June 2022

The development of fluorescent heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds for researching the structure–property relationship and high-efficiency amine sensing is still challenging.
New strategies towards advanced CT contrast agents. Development of neutral and monoanionic sulfur-bridged W(v) dimeric complexes
Authors: Varbanov Hristo P. , Glasnov Toma , Belaj Ferdinand , Herbert Simon , Brumby Thomas , Mösch-Zanetti Nadia C.
Published: June 2022

A series of neutral and monoanionic di-μ-sulfido W(v) dimers with high W content and stability have been synthesized via an efficient procedure utilizing microwave heating in combination with ion-pair HPLC reaction monitoring.
Production of lactic acid mediated by compressed carbon dioxide on heterogeneous Ni(ii) catalysts: a facile approach
Authors: Chatterjee Maya , Chatterjee Abhijit , Kawanami Hajime
Published: June 2022

The direct formation of lactic acid (C3) from acetaldehyde (C2) and CO2 (C1) as a coupling agent catalyzed by heterogeneous Ni/MCM-41 provides an excellent CO2 incorporation route toward the synthesis of α-hydroxy acid from various aldehydes.
A hemicellulose-first approach: one-step conversion of sugarcane bagasse to xylooligosaccharides over activated carbon modified with tandem plasma and acid treatments
Authors: Rahmati Shahrooz , Atanda Luqman , Horn Michael , Athukoralalage Don K. Deshan , Jimenez Forero Javier , Moghaddam Lalehvash , Dubal Deepak , Ostrikov Kostya (Ken) , Doherty William O. S.
Published: June 2022

Selective depolymerization of sugarcane bagasse to various xylose oligomers using a hybrid of plasma-acid treated activated carbon.
Eldfellite-type cathode material, NaV(SO4)2, for Na-ion batteries
Authors: Nishio Akira , Ishado Yuji , Nakamoto Kosuke , Kobayashi Eiichi , Inoishi Atsushi , Sakaebe Hikari , Okada Shigeto
Published: June 2022

A novel eldfellite-type cathode material, NaV(SO4)2, demonstrates a reversible capacity of 102 mA h g−1 with the two-step charge–discharge reaction.
An organometallic analogue of combretastatin A-4 and its apoptosis-inducing effects on lymphoma, leukemia and other tumor cells in vitro
Authors: Abodo Onambele Liliane , Hoffmann Natalie , Kater Lisa , Hemmersbach Lars , Neudörfl Jörg-Martin , Sitnikov Nikolay , Kater Benjamin , Frias Corazon , Schmalz Hans-Günther , Prokop Aram
Published: June 2022

The diarylethyne cobalt carbonyl complex NAHO27 selectively induces apoptosis in cancer cells at low μM concentrations via the mitochondrial pathway. It is also active against resistant cells, showing a strong synergistic effect with vincristine.
Modulating defibrillation by tryptophan-mediated photo cleavage of disulfide bonds
Authors: Mondal Sahabaj , Singh Surajit , Shit Ananda , Kumar Santosh , Haldar Debasish
Published: June 2022

Dibenzyloxycarbonyl-l-cystine forms amyloid-like fibers and a hydrogel; however, on UV irradiation, Trp-mediated disulfide bond cleavage occurs, leading to defibrillation and a gel to sol transition.
Transition-metal-free insertion of alkynes into the C–C σ-bond of cyclic β-keto sulfones: an atom-economical way to medium-size-ring sulfonyl derivatives
Authors: Gu Yingge , Yang Yajie , Wang Ye , Wang Zongkang , Zhu Yilin , Li Yanzhong
Published: June 2022

A novel base-promoted and highly efficient strategy for the preparation of medium-size-ring sulfonyl derivatives has been developed.
Nanosized porous artificial enzyme as a pH-sensitive doxorubicin delivery system for joint enzymatic and chemotherapy towards tumor treatment
Authors: Xu Zhilu , Wang Ting , Li Jing , Zhang Fang , Lou Han , Zhang Jian , Zhang Wenhua , Zhang Weifen , Zhou Baolong
Published: June 2022

A porous spherical artificial nanozyme (HF-900) prepared via pyrolysis of a porous organic polymer was used as drug carrier for efficient loading and highly selective pH-responsive delivery of doxorubicin (DOX) for the tumor joint nanotherapy.
Functionalizing MXenes with molybdenum trioxide towards reducing fire hazards of thermoplastic polyurethane
Authors: Yao Ansheng , Liu Chuan , Ye Yating , Yang Ye , Wang Zixiao , Wang Hengrui , Feng Yuezhan , Gao Jiefeng , Shi Yongqian
Published: June 2022

The development of high-efficiency flame-retardant polymers with low toxic fumes during combustion remains a great challenge.
Synthesis of NiSe nanorod array structure as a binder-free cathode for an aqueous rechargeable Ni–Zn battery
Authors: Zhang Daojun , Jiang Bei , Liu Yang , Zhang Jingchao , Wang Yinhuan , Wei Minglun , Zhang Renchun , Li Chaowei , Huang Liangliang
Published: June 2022

Co0.33Ni0.67Se nanorod array electrode synthesized by a simple two-step solvothermal method on Ni foam and demonstrated good electrochemical performances for supercapacitor and aqueous rechargeable Ni–Zn battery.
Pitfalls in the structural elucidation of small molecules. A critical analysis of a decade of structural misassignments of marine natural products
Authors: Shen Shou-Mao , Appendino Giovanni , Guo Yue-Wei
Published: June 2022

The article summarizes over 200 cases of misassigned MNPs, identifying major pitfalls still plaguing the structural elucidation of small molecules.
Low-dose exposure to phytosynthesized gold nanoparticles combined with glutamine deprivation enhances cell death in the cancer cell line HeLa via oxidative stress-mediated mitochondrial dysfunction and G0/G1 cell cycle arrest
Authors: Prasad Abhinav , Khatua Ashapurna , Mohanta Yugal Kishore , Saravanan Muthupandian , Meena Ramovatar , Ghosh Ilora
Published: June 2022

Glutamine deprivation sensitizes cancer cells HeLa to mitochondrial inactivity and cell cycle arrest mediated cell death induction by low-dose phytosynthesized gold nanoparticles.
Water-resistant organic–inorganic hybrid perovskite quantum dots activated by the electron-deficient d-orbital of platinum atoms for nitrogen fixation
Authors: Gao Yixuan , Su Xiao , Wei Juanjuan , Sun Jianghui , Zhang Min , Tan Hongwei , Zhang Jiangwei , Ouyang Jin , Na Na
Published: June 2022

Water-resistant polycarbonate-part-encapsulated heterojunction of Zn,PtIV co-doped PbO-MAPbBr3 was prepared by ESI-microdroplet synthesis. Electron deficient sites of PtIV lowered d-band center to inhibit H adsorption, enhancing N2 affinity for NRR.
Direct oxidation of bromo-derived Fischer–Borsche oxo-ring using molecular iodine with combined experimental and computational study
Authors: Humne Vivek T. , Ghom Monica H. , Naykode Mahavir S. , Dangat Yuvraj , Vanka Kumar , Lokhande Pradeep
Published: June 2022

A direct oxidation of the bromo-derived Fischer–Borsche oxo-ring leading to carbazolequinone using iodine has been reported. This method has been used for the synthesis of the murrayaquinone and its derivatives, with good to excellent yield.
Rapid detection of major Gram-positive pathogens in ocular specimens using a novel fluorescent vancomycin-based probe
Authors: Sharma Richa , Rajagopalan Harinee , Klausen Maxime , Jeyalatha Mani Vimalin , Üçüncü Muhammed , Venkateswaran Seshasailam , Anand Appakkudal R. , Bradley Mark
Published: June 2022

A novel probe, based on vancomycin and 4-nitrobenzoxadiazole was synthesized and characterized, and used for the rapid and specific detection of Gram positive bacteria – the major pathogens responsible for eye infections in ocular specimens.
Wastewater depollution of textile dyes and antibiotics using unmodified and copper oxide/zinc oxide nanofunctionalised graphene oxide materials
Authors: Rajapaksha Piumie , Orrell-Trigg Rebecca , Truong Yen B. , Cozzolino Daniel , Truong Vi Khanh , Chapman James
Published: June 2022

GO, CuO-rGO and ZnO-rGO were tested for their ability to remove textile dyes (R-6G, MG) and antibiotics (AMOX, TC) as wastewater depollution materials. Although GO was most effective for the cationic dyes, CuO-rGO efficiently removed anionic antibiotics.
Binding of the Mycobacterium tuberculosis EccCb1 ATPase double hexameric ring to the EsxAB virulence factor is enhanced by ATP
Authors: Bandyopadhyay Arkita , Kumar Ramesh , Singh Jyotsna , Saxena Ajay K.
Published: June 2022

The EccC enzyme of Mycobacterium tuberculosis ESX-1 secretion system is involved in EsxAB virulence factor secretion and offers an attractive target for antivirulence inhibitors development against M. tuberculosis. The EccCb1 polypeptide of the EccC enzyme contains two Ftsk/SpoIIIE type ATPase domains (D2 and D3) and binds to the EsxAB factor at the C-terminal region of the D3 domain. In the current study, we have determined a low-resolution structure of EccCb1, and its mechanism involved in ATPase activity and EsxAB factor binding. Small-angle X-ray scattering data yielded a double hexameric ring structure of EccCb1 in solution and was further confirmed by SEC-MALS and dynamic light scattering. ATPase activity of wild-type, D2, and D3 mutants showed that D2-K90A and D3-K382A mutations led to a complete loss of enzyme activity. The full-length EccCb1 showed ∼3.7-fold lower catalytic efficiency than D2 domain and ∼1.7 fold lower than D3 domain. The EsxAB factor binds EccCb1 with Kd ∼ 11.3 ± 0.6 nM and its affinity is enhanced ∼2 fold in presence of ATP + Mg2+. These data indicate the involvement of ATPase activity in EsxAB factor translocation. Molecular dynamics simulation on wild-type, ATP + Mg2+, and EsxAB + ATP + Mg2+ bound EccCb1 double-ring structure showed enhanced stability of enzyme upon ATP + Mg2+ and EsxAB binding. Overall, our study showed a low-resolution structure of EccCb1, and the mechanism involved in ATPase activity and EsxAB factor recognition, which can be targeted for the development of antivirulence drugs against M. tuberculosis.
Gene expression profile associated with Asmt knockout-induced depression-like behaviors and exercise effects in mouse hypothalamus
Authors: Liu Wenbin , Huang Zhuochun , Xia Jie , Cui Zhiming , Li Lingxia , Qi Zhengtang , Liu Weina
Published: June 2022

Sleep disorder caused by abnormal circadian rhythm is one of the main symptoms and risk factors of depression. As a known hormone regulating circadian rhythms, melatonin (MT) is also namely N-acetyl-5-methoxytryptamine. N-acetylserotonin methyltransferase (Asmt) is the key rate-limiting enzyme of MT synthesis and has been reportedly associated with depression. Although 50–90% of patients with depression have sleep disorders, there are no effective treatment ways in the clinic. Exercise can regulate circadian rhythm and play an important role in depression treatment. In the present study, we showed that Asmt knockout induced depression-like behaviors, which were ameliorated by swimming exercise. Moreover, swimming exercise increased serum levels of MT and 5-hydroxytryptamine (5-HT) in Asmt knockout mice. In addition, the microarray data identified 10 differentially expressed genes (DEGs) in KO mice compared with WT mice and 29 DEGs in KO mice after swimming exercise. Among the DEGs, the direction and magnitude of change in epidermal growth factor receptor pathway substrate 8-like 1 (Eps8l1) and phospholipase C-β 2 (Plcb2) were confirmed by qRT-PCR partly. Subsequent bioinformatic analysis showed that these DEGs were enriched significantly in the p53 signaling pathway, long-term depression and estrogen signaling pathway. In the protein–protein interaction (PPI) networks, membrane palmitoylated protein 1 (Mpp1) and p53-induced death domain protein 1 (Pidd1) were hub genes to participate in the pathological mechanisms of depression and exercise intervention. These findings may provide new targets for the treatment of depression.
INK4 cyclin-dependent kinase inhibitors as potential prognostic biomarkers and therapeutic targets in hepatocellular carcinoma
Authors: Liu Hui , Jia Songhao , Guo Kun , Li Rongkuan
Published: June 2022

The INK4 family is an important family of cyclin-dependent kinase inhibitors (CDKIs) and consists of CDKN2A, CDKN2B, CDKN2, and CDKN2D. Abnormal expression of CDKN2A has been reported in hepatocellular carcinoma (HCC) and is associated with the prognosis of patients and infiltration of immune cells. However, there is a lack of systematic research on the roles of the other INK4 family members in the diagnosis, prognosis, and immune regulation of HCC. Using online public databases and clinical samples, we comprehensively analyzed the INK4 family in HCC. All four INK4 proteins were overexpressed in HCC and correlated with advanced cancer stage and poor prognosis. INK4 expression accurately distinguished tumor from normal tissue, particularly CDKN2A and CDKN2C. The INK4 family participated in cell-cycle regulation and the DNA damage repair pathway, which inhibited genotoxic-induced apoptosis in tumorigenesis. INK4 proteins were positively correlated with the infiltration of immune cells (B cells, CD8+ T cells, CD4+ T cells, macrophages, neutrophils, and dendritic cells) and immune checkpoints (CTLA-4, PD1, and PD-L1). CDKN2D had the highest correlation (correlation coefficient >0.3) with all the above-mentioned infiltrating immune cells and immune checkpoints, indicating that it may be useful as an immunotherapy target. The INK4 family was valuable for diagnosis and predicting the prognosis of HCC and participated in the occurrence, progression, and immune regulation of HCC, demonstrating its potential as a diagnostic and prognostic biomarker and therapeutic target in HCC.
Dynamic Assessment for Children With Communication Disorders: A Systematic Scoping Review and Framework
Authors: Bamford Claire King , Masso Sarah , Baker Elise , Ballard Kirrie J.
Published: June 2022

Purpose:

The aim of this systematic scoping review was to identify the elements that exist in dynamic assessments of communication in children, synthesize and arrange them into a framework, and investigate how these elements have been used in published literature.

Method:

Seven databases were searched using clusters of keywords themed around “dynamic assessment,” “communication,” and “children.” Papers were reviewed against eligibility criteria by two independent reviewers at both title/abstract and full-text screening stages. Data charting included information about study design and the methodological characteristics of identified dynamic assessments.

Results:

Sixty-five papers met inclusion criteria. Dynamic assessments were used in a range of areas of communication and used diverse methodologies. A total of 23 elements were identified and formulated into a Dynamic Assessment Framework, arranged into eight categories within two broad domains. A majority of assessments utilized prompting or cueing as instruction (54%), provided a predetermined amount of instruction (55%), measured child performance (63%), and were prescripted (60%).

Conclusions:

Dynamic assessments are complex. Utilizing a dynamic assessment in clinical practice or research requires a deep understanding of the purpose, clinical population, implementation, and data collection and measurement requirements. From our review of research involving dynamic assessments of communication in children, there is a need for greater transparency of reporting of the elements comprising dynamic assessments. The Dynamic Assessment Framework presented in this review article offers researchers and clinicians a way to have transparent discussions and extend our collective insights into the value of dynamic assessment of children's communication skills.

Supplemental Material:

https://doi.org/10.23641/asha.20151830
Scope of machine learning applications for addressing the challenges in next‐generation wireless networks
Authors: Samanta Raj Kumar , Sadhukhan Bikash , Samaddar Hiranmay , Sarkar Suvobrata , Koner Chandan , Ghosh Monidepa
Published: June 2022

The convenience of availing quality services at affordable costs anytime and anywhere makes mobile technology very popular among users. Due to this popularity, there has been a huge rise in mobile data volume, applications, types of services, and number of customers. Furthermore, due to the COVID‐19 pandemic, the worldwide lockdown has added fuel to this increase as most of our professional and commercial activities are being done online from home. This massive increase in demand for multi‐class services has posed numerous challenges to wireless network frameworks. The services offered through wireless networks are required to support this huge volume of data and multiple types of traffic, such as real‐time live streaming of videos, audios, text, images etc., at a very high bit rate with a negligible delay in transmission and permissible vehicular speed of the customers. Next‐generation wireless networks (NGWNs, i.e. 5G networks and beyond) are being developed to accommodate the service qualities mentioned above and many more. However, achieving all the desired service qualities to be incorporated into the design of the 5G network infrastructure imposes large challenges for designers and engineers. It requires the analysis of a huge volume of network data (structured and unstructured) received or collected from heterogeneous devices, applications, services, and customers and the effective and dynamic management of network parameters based on this analysis in real time. In the ever‐increasing network heterogeneity and complexity, machine learning (ML) techniques may become an efficient tool for effectively managing these issues. In recent days, the progress of artificial intelligence and ML techniques has grown interest in their application in the networking domain. This study discusses current wireless network research, brief discussions on ML methods that can be effectively applied to the wireless networking domain, some tools available to support and customise efficient mobile system design, and some unresolved issues for future research directions.
A combinatorial precoding scheme of cell‐free massive MIMO with channel aging
Authors: Fang Hao , Hu Han , Yang Longxiang , Zhang Yao , Qiao Xu
Published: June 2022

Here, we investigate the precoding schemes for the downlink data transmission of a time‐division duplex cell‐free massive multiple‐input multiple‐output (MIMO) system with channel aging, which arises from the user mobility. Closed‐form spectral efficiency (SE) expressions of the downlink with the normalized conjugate beamforming (NCB), and the full‐pilot zero‐forcing (FZF), are derived, which are used for the analytical system performance evaluation. Then, a novel combinatorial precoding scheme with enhanced system SE performance, which adopts either NCB or FZF according to each user channel aging condition, is proposed. Moreover, a pilot allocation strategy is proposed to alleviate the extra interference brought by the combinatorial precoding scheme. Also, a statistical channel cooperative power control is employed to further improve the performance for all the above precoding schemes. Numerical results show that the proposed precoding scheme can substantially improve the average downlink SE.
Boundary tracking control of an unstable cascaded heat system with a non‐collocated feedback
Authors: Zhang Yu‐Long , Wang Jun‐Min
Published: June 2022

Here, we consider the output tracking problem of two cascaded heat equations through boundary interconnection, where one heat equation is unstable and the control input is placed on the boundary of the other heat equation. A feedforward control is designed to realize the output tracking to the desired reference signal. A non‐collocated static feedback control is proposed to stabilize the tracking error system. The admissible feedback gain is obtained by applying the Nyquist criterion. Then the closed‐loop tracking error system is showed to be exponentially stable. Finally, the tracking performance is illustrated by the numerical simulation.