bluuebunny/crossref_metadata_2025 huggingface dataset:
Machine learning in project analytics: a data-driven framework and case study
Authors: Uddin Shahadat , Ong Stephen , Lu Haohui
Published: September 2022

The analytic procedures incorporated to facilitate the delivery of projects are often referred to as project analytics. Existing techniques focus on retrospective reporting and understanding the underlying relationships to make informed decisions. Although machine learning algorithms have been widely used in addressing problems within various contexts (e.g., streamlining the design of construction projects), limited studies have evaluated pre-existing machine learning methods within the delivery of construction projects. Due to this, the current research aims to contribute further to this convergence between artificial intelligence and the execution construction project through the evaluation of a specific set of machine learning algorithms. This study proposes a machine learning-based data-driven research framework for addressing problems related to project analytics. It then illustrates an example of the application of this framework. In this illustration, existing data from an open-source data repository on construction projects and cost overrun frequencies was studied in which several machine learning models (Python’s Scikit-learn package) were tested and evaluated. The data consisted of 44 independent variables (from materials to labour and contracting) and one dependent variable (project cost overrun frequency), which has been categorised for processing under several machine learning models. These models include support vector machine, logistic regression, k-nearest neighbour, random forest, stacking (ensemble) model and artificial neural network. Feature selection and evaluation methods, including the Univariate feature selection, Recursive feature elimination, SelectFromModel and confusion matrix, were applied to determine the most accurate prediction model. This study also discusses the generalisability of using the proposed research framework in other research contexts within the field of project management. The proposed framework, its illustration in the context of construction projects and its potential to be adopted in different contexts will significantly contribute to project practitioners, stakeholders and academics in addressing many project-related issues.
Impact of TP53 mutations in Triple Negative Breast Cancer
Authors: Mitri Zahi I. , Abuhadra Nour , Goodyear Shaun M. , Hobbs Evthokia A. , Kaempf Andy , Thompson Alastair M. , Moulder Stacy L.
Published: September 2022

Identifying triple negative breast cancer (TNBC) patients expected to have poor outcomes provides an opportunity to enhance clinical management. We applied an Evolutionary Action Score to functionally characterize TP53 mutations (EAp53) in 96 TNBC patients and observed that EAp53 stratification may identify TP53 mutations associated with worse outcomes. These findings merit further exploration in larger TNBC cohorts and in patients treated with neoadjuvant chemotherapy regimens.
Cytotoxicity survey of commercial graphene materials from worldwide
Authors: Malhotra Ritika , Halbig Christian Eberhard , Sim Yu Fan , Lim Chwee Teck , Leong David Tai , Neto A. H. Castro , Garaj Slaven , Rosa Vinicius
Published: September 2022

Graphene and other 2D materials are having a profound impact on science and technology. Unfortunately, progress in this area has not been followed by strict quality controls and toxicity benchmarks. Herein, we report a survey of the cytotoxicity of 36 products nominally labeled as “graphene.” These are available from suppliers worldwide and synthesized through various techniques. Detailed characterization suggests that these products represent a heterogeneous class of materials with varying physicochemical properties and a noticeable quantity of contaminants. We demonstrate that the cellular toxicity of these products is not related to a particular characteristic of graphene; rather, it is fundamentally determined by the presence of impurities in the commercially available graphene family materials tested.
All inkjet-printed electronics based on electrochemically exfoliated two-dimensional metal, semiconductor, and dielectric
Authors: Song Okin , Rhee Dongjoon , Kim Jihyun , Jeon Youngseo , Mazánek Vlastimil , Söll Aljoscha , Kwon Yonghyun Albert , Cho Jeong Ho , Kim Yong-Hoon , Sofer Zdeněk , Kang Joohoon
Published: September 2022

Inkjet printing is a cost-effective and scalable way to assemble colloidal materials into desired patterns in a vacuum- and lithography-free manner. Two-dimensional (2D) nanosheets are a promising material category for printed electronics because of their compatibility with solution processing for stable ink formulations as well as a wide range of electronic types from metal, semiconductor to insulator. Furthermore, their dangling bond-free surface enables atomically thin, electronically-active thin films with van der Waals contacts which significantly reduce the junction resistance. Here, we demonstrate all inkjet-printed thin-film transistors consisting of electrochemically exfoliated graphene, MoS2, and HfO2 as metallic electrodes, a semiconducting channel, and a high-k dielectric layer, respectively. In particular, the HfO2 dielectric layer is prepared via two-step; electrochemical exfoliation of semiconducting HfS2 followed by a thermal oxidation process to overcome the incompatibility of electrochemical exfoliation with insulating crystals. Consequently, all inkjet-printed 2D nanosheets with various electronic types enable high-performance, thin-film transistors which demonstrate field-effect mobilities and current on/off ratios of ~10 cm2 V−1 s−1 and >105, respectively, at low operating voltage.
Detecting motor symptom fluctuations in Parkinson’s disease with generative adversarial networks
Authors: Ramesh Vishwajith , Bilal Erhan
Published: September 2022

Parkinson’s disease is a neurodegenerative disorder characterized by several motor symptoms that develop gradually: tremor, bradykinesia, limb rigidity, and gait and balance problems. While there is no cure, levodopa therapy has been shown to mitigate symptoms. A patient on levodopa experiences cycles in the severity of their symptoms, characterized by an ON state—when the drug is active—and an OFF state—when symptoms worsen as the drug wears off. The longitudinal progression of the disease is monitored using episodic assessments performed by trained physicians in the clinic, such as the Unified Parkinson’s Disease Rating Scale (UPDRS). Lately, there has been an effort in the field to develop continuous, objective measures of motor symptoms based on wearable sensors and other remote monitoring devices. In this work, we present an effort towards such a solution that uses a single wearable inertial sensor to automatically assess the postural instability and gait disorder (PIGD) of a Parkinson’s disease patient. Sensor data was collected from two independent studies of subjects performing the UPDRS test and then used to train and validate a convolutional neural network model. Given the typical limited size of such studies we also employed the use of generative adversarial networks to improve the performance of deep-learning models that usually require larger amounts of data for training. We show that for a 2-min walk test, our method’s predicted PIGD scores can be used to identify a patient’s ON/OFF states better than a physician evaluated on the same criteria. This result paves the way for more reliable, continuous tracking of Parkinson’s disease symptoms.
Higher sensitivity monitoring of reactions to COVID-19 vaccination using smartwatches
Authors: Guan Grace , Mofaz Merav , Qian Gary , Patalon Tal , Shmueli Erez , Yamin Dan , Brandeau Margaret L.
Published: September 2022

More than 12 billion COVID-19 vaccination shots have been administered as of August 2022, but information from active surveillance about vaccine safety is limited. Surveillance is generally based on self-reporting, making the monitoring process subjective. We study participants in Israel who received their second or third Pfizer BioNTech COVID-19 vaccination. All participants wore a Garmin Vivosmart 4 smartwatch and completed a daily questionnaire via smartphone. We compare post-vaccination smartwatch heart rate data and a Garmin-computed stress measure based on heart rate variability with data from the patient questionnaires. Using a mixed effects panel regression to remove participant-level fixed and random effects, we identify considerable changes in smartwatch measures in the 72 h post-vaccination even among participants who reported no side effects in the questionnaire. Wearable devices were more sensitive than questionnaires in determining when participants returned to baseline levels. We conclude that wearable devices can detect physiological responses following vaccination that may not be captured by patient self-reporting. More broadly, the ubiquity of smartwatches provides an opportunity to gather improved data on patient health, including active surveillance of vaccine safety.
Human lung-resident mucosal-associated invariant T cells are abundant, express antimicrobial proteins, and are cytokine responsive
Authors: Meermeier Erin W. , Zheng Christina L. , Tran Jessica G. , Soma Shogo , Worley Aneta H. , Weiss David I. , Modlin Robert L. , Swarbrick Gwendolyn , Karamooz Elham , Khuzwayo Sharon , Wong Emily B. , Gold Marielle C. , Lewinsohn David M.
Published: September 2022

Mucosal-associated Invariant T (MAIT) cells are an innate-like T cell subset that recognize a broad array of microbial pathogens, including respiratory pathogens. Here we investigate the transcriptional profile of MAIT cells localized to the human lung, and postulate that MAIT cells may play a role in maintaining homeostasis at this mucosal barrier. Using the MR1/5-OP-RU tetramer, we identified MAIT cells and non-MAIT CD8+ T cells in lung tissue not suitable for transplant from human donors. We used RNA-sequencing of MAIT cells compared to non-MAIT CD8+ T cells to define the transcriptome of MAIT cells in the human lung. We show that, as a population, lung MAIT cells are polycytotoxic, secrete the directly antimicrobial molecule IL-26, express genes associated with persistence, and selectively express cytokine and chemokine- related molecules distinct from other lung-resident CD8+ T cells, such as interferon-γ- and IL-12- receptors. These data highlight MAIT cells’ predisposition to rapid pro-inflammatory cytokine responsiveness and antimicrobial mechanisms in human lung tissue, concordant with findings of blood-derived counterparts, and support a function for MAIT cells as early sensors in the defense of respiratory barrier function.
Arsenal of nanobodies shows broad-spectrum neutralization against SARS-CoV-2 variants of concern in vitro and in vivo in hamster models
Authors: Rossotti Martin A. , van Faassen Henk , Tran Anh T. , Sheff Joey , Sandhu Jagdeep K. , Duque Diana , Hewitt Melissa , Wen Xiaoxue , Bavananthasivam Jegarubee , Beitari Saina , Matte Kevin , Laroche Geneviève , Giguère Patrick M. , Gervais Christian , Stuible Matthew , Guimond Julie , Perret Sylvie , Hussack Greg , Langlois Marc-André , Durocher Yves , Tanha Jamshid
Published: September 2022

Nanobodies offer several potential advantages over mAbs for the control of SARS-CoV-2. Their ability to access cryptic epitopes conserved across SARS-CoV-2 variants of concern (VoCs) and feasibility to engineer modular, multimeric designs, make these antibody fragments ideal candidates for developing broad-spectrum therapeutics against current and continually emerging SARS-CoV-2 VoCs. Here we describe a diverse collection of 37 anti-SARS-CoV-2 spike glycoprotein nanobodies extensively characterized as both monovalent and IgG Fc-fused bivalent modalities. The nanobodies were collectively shown to have high intrinsic affinity; high thermal, thermodynamic and aerosolization stability; broad subunit/domain specificity and cross-reactivity across existing VoCs; wide-ranging epitopic and mechanistic diversity and high and broad in vitro neutralization potencies. A select set of Fc-fused nanobodies showed high neutralization efficacies in hamster models of SARS-CoV-2 infection, reducing viral burden by up to six orders of magnitude to below detectable levels. In vivo protection was demonstrated with anti-RBD and previously unreported anti-NTD and anti-S2 nanobodies. This collection of nanobodies provides a potential therapeutic toolbox from which various cocktails or multi-paratopic formats could be built to combat multiple SARS-CoV-2 variants.
Genetic and microenvironmental intra-tumor heterogeneity impacts colorectal cancer evolution and metastatic development
Authors: Sobral Daniel , Martins Marta , Kaplan Shannon , Golkaram Mahdi , Salmans Michael , Khan Nafeesa , Vijayaraghavan Raakhee , Casimiro Sandra , Fernandes Afonso , Borralho Paula , Ferreira Cristina , Pinto Rui , Abreu Catarina , Costa Ana Lúcia , Zhang Shile , Pawlowski Traci , Godsey Jim , Mansinho André , Macedo Daniela , Lobo-Martins Soraia , Filipe Pedro , Esteves Rui , Coutinho João , Costa Paulo Matos , Ramires Afonso , Aldeia Fernando , Quintela António , So Alex , Liu Li , Grosso Ana Rita , Costa Luis
Published: September 2022

Colorectal cancer (CRC) is a highly diverse disease, where different genomic instability pathways shape genetic clonal diversity and tumor microenvironment. Although intra-tumor heterogeneity has been characterized in primary tumors, its origin and consequences in CRC outcome is not fully understood. Therefore, we assessed intra- and inter-tumor heterogeneity of a prospective cohort of 136 CRC samples. We demonstrate that CRC diversity is forged by asynchronous forms of molecular alterations, where mutational and chromosomal instability collectively boost CRC genetic and microenvironment intra-tumor heterogeneity. We were able to depict predictor signatures of cancer-related genes that can foresee heterogeneity levels across the different tumor consensus molecular subtypes (CMS) and primary tumor location. Finally, we show that high genetic and microenvironment heterogeneity are associated with lower metastatic potential, whereas late-emerging copy number variations favor metastasis development and polyclonal seeding. This study provides an exhaustive portrait of the interplay between genetic and microenvironment intra-tumor heterogeneity across CMS subtypes, depicting molecular events with predictive value of CRC progression and metastasis development.
Integrated multi-omics reveal important roles of gut contents in intestinal ischemia–reperfusion induced injuries in rats
Authors: Dai Die , Dai Fandie , Chen Jingchao , Jin Menglu , Li Mingyue , Hu Desheng , Liu Zhi , Zhang Zunjian , Xu Fengguo , Chen Wei-Hua
Published: September 2022

Intestinal ischemia–reperfusion (IIR) is a life-threatening clinical event with damaging signals whose origin and contents are unclear. Here we observe that IIR significantly affect the metabolic profiles of most organs by unbiased organ-wide metabolic analysis of gut contents, blood, and fifteen organs in rats (n = 29). Remarkably, correlations between gut content metabolic profiles and those of other organs are the most significant. Gut contents are also the only ones to show dynamic correlations during IIR. Additionally, according to targeted metabolomics analysis, several neurotransmitters are considerably altered in the gut during IIR, and displayed noteworthy correlations with remote organs. Likewise, metagenomics analysis (n = 35) confirm the effects of IIR on gut microbiota, and identify key species fundamental to the changes in gut metabolites, particularly neurotransmitters. Our multi-omics results establish key roles of gut contents in IIR induced remote injury and provide clues for future exploration.
SLITRK1-mediated noradrenergic projection suppression in the neonatal prefrontal cortex
Authors: Hatayama Minoru , Katayama Kei-ichi , Kawahara Yukie , Matsunaga Hayato , Takashima Noriko , Iwayama Yoshimi , Matsumoto Yoshifumi , Nishi Akinori , Yoshikawa Takeo , Aruga Jun
Published: September 2022

SLITRK1 is an obsessive-compulsive disorder spectrum-disorders-associated gene that encodes a neuronal transmembrane protein. Here we show that SLITRK1 suppresses noradrenergic projections in the neonatal prefrontal cortex, and SLITRK1 functions are impaired by SLITRK1 mutations in patients with schizophrenia (S330A, a revertant of Homo sapiens-specific residue) and bipolar disorder (A444S). Slitrk1-KO newborns exhibit abnormal vocalizations, and their prefrontal cortices show excessive noradrenergic neurites and reduced Semaphorin3A expression, which suppresses noradrenergic neurite outgrowth in vitro. Slitrk1 can bind Dynamin1 and L1 family proteins (Neurofascin and L1CAM), as well as suppress Semaphorin3A-induced endocytosis. Neurofascin-binding kinetics is altered in S330A and A444S mutations. Consistent with the increased obsessive-compulsive disorder prevalence in males in childhood, the prefrontal cortex of male Slitrk1-KO newborns show increased noradrenaline levels, and serotonergic varicosity size. This study further elucidates the role of noradrenaline in controlling the development of the obsessive-compulsive disorder-related neural circuit.
Integrative and comparative single-cell analysis reveals transcriptomic difference between human tumefactive demyelinating lesion and glioma
Authors: Chen Xiao-Yong , Chen Yue , Fang Wen-Hua , Wu Zan-Yi , Wang Deng-Liang , Xu Ya-Wen , Yu Liang-Hong , Lin Yuan-Xiang , Kang De-Zhi , Ding Chen-Yu
Published: September 2022

Tumefactive demyelinating lesion (TDL) is an immune-mediated disease which can be misdiagnosed as glioma. At present, there is no study comparing difference between the two disorders at the cellular level. Here, we perform integrative and comparative single-cell RNA sequencing (ScRNA-seq) transcriptomic analysis on TDL and glioma lesions. At single-cell resolution, TDL is comprised primarily of immune cells, which is completely different from glioma. The integrated analysis reveals a TDL-specific microglial subset involving in B cell activation and proliferation. Comparative analysis highlights remyelination function of glial cells and demyelination function of T cells in TDL. Subclustering and pseudotime trajectory analysis of T cells in TDL reveal their heterogeneity and diverse functions involving in TDL pathogenesis and recovery process. Our study identifies substantial differences between TDL and glioma at single-cell resolution. The observed heterogeneity and potentially diverse functions of cells in TDL may be critical in disease progression.
TOB1 attenuates IRF3-directed antiviral responses by recruiting HDAC8 to specifically suppress IFN-β expression
Authors: Yu Zhongxia , Wang Lijuan , Zhao Jing , Song Hui , Zhao Chunyuan , Zhao Wei , Jia Mutian
Published: September 2022

Interferon regulatory factor 3 (IRF3) is a key transcription factor required for the secretion of type I interferons (IFN-α/β) and initiation of antiviral immune response. However, the negative feedback regulator of IRF3-directed antiviral response remains unknown. In this study, we demonstrated that viral infection induced the interaction of the transducer of ERBB2.1 (TOB1) with IRF3, which bound to the promoter region of Ifnb1 in macrophages. TOB1 inhibited Ifnb1 transcription by disrupting IRF3 binding and recruiting histone deacetylase 8 (HDAC8) to the Ifnb1 promoter region. Consequently, TOB1 attenuated IRF3-directed IFN-β expression in virus-infected macrophages. Tob1 deficiency enhanced antiviral response and suppressed viral replication in vivo. Thus, we identified TOB1 as a feedback inhibitor of host antiviral innate immune response and revealed a mechanism underlying viral immune escape.
Best practices in lithium battery cell preparation and evaluation
Authors: Dai Fang , Cai Mei
Published: September 2022

Improved lithium batteries are in high demand for consumer electronics and electric vehicles. In order to accurately evaluate new materials and components, battery cells need to be fabricated and tested in a controlled environment. For the commonly used coin and small pouch cells, certain key factors and parameters substantially influence the final cell quality and performance. Therefore, to achieve accurate and reliable data on new materials for batteries, repeatability, and quality of cell fabrication are critical to ensure reproducible findings. Here, we discuss the key factors and parameters which influence cell fabrication and testing, including electrode uniformity, component dryness, electrode alignment, internal and external pressure, electrolyte amount control, and cell fixture with pressure control. We also provide general guidelines for reliable cell preparation.
Negative Pressure and Cavitation Dynamics in Plant-like Structures
Authors: Vincent Olivier
Published: September 2022

It is well known that a solid (e.g. wood or rubber) can be put under tensile stress by pulling on it. Once a critical stress is overcome, the solid breaks, leaving an empty space. Similarly, due to internal cohesion, a liquid can withstand tension (i.e. negative pressure), up to a critical point where a large bubble spontaneously forms, releasing the tension and leaving a void (the bubble). This process is known as cavitation. While water at negative pressure is metastable, such a state can be long-lived. In fact, water under tension is found routinely in the plant kingdom, as a direct effect of dehydration, e.g. by evaporation. In this chapter, we provide a brief overview of occurrences of water stress and cavitation in plants, then use a simple thermodynamic and fluid mechanical framework to describe the basic physics of water stress and cavitation. We focus specifically on situations close to those in plants, that is water at negative pressure nested within a structure that is solid, but porous and potentially deformable. We also discuss insights from these simple models as well as from experiments with artificial structures mimicking some essential aspects of the structures found within plants.
Invasive Processes in the Life Cycle of Plants and Fungi
Authors: Kapoor Karuna , Geitmann Anja
Published: September 2022

Invasive growth is a common characteristic of a variety of cell types in all kingdoms, ranging from animals to plants, fungi, and bacteria. Invasion in a biological context can be commonly defined as penetration of a substrate by an actively elongating ‘invader’ (single cell or multicellular structure). Invasion requires force, which in the case of single cells is produced by cell mechanical features such as turgor pressure or the cytoskeleton. Invasion is often facilitated by agents employed to soften the invaded matrix, such as lytic enzymes. This review provides an overview of experimental strategies that have been developed to characterize this particular cellular behavior and to measure the invasive forces generated by tip-growing cells in plants and fungi.
Hygroresponsive Movements of Plants and Soft Actuators
Authors: Park Keunhwan , Ha Jonghyun , Shin Beomjune , Kim Ho-Young
Published: September 2022

Plants can generate motions even with dead cells and tissues. Their motions are passively driven via the volume change of the cells and tissues, which can swell by absorbing moisture. In this chapter, we introduce the physical principles behind hygroresponsive deformation of plants, with particular interest in how such porous plant tissues as found in motile seed awns can program their deformations with structural constraints. Then we introduce soft actuators inspired by the botanical hygroscopic movement mechanisms. We survey artificial hygroresponsive actuators, compare the performances of biological and artificial actuators, and discuss applications of the bio-inspired actuators.
Electrochemical sensor propelled by exonuclease III for highly efficient microRNA-155 detection
Authors: Yan Bingyin , Zheng Xiangjiang , Shi Pengfei
Published: September 2022

We constructed an electrochemical sensor, propelled by exonuclease III, for highly efficient microRNA-155 detection. The detection performance of the sensor was excellent, with a detection limit as low as 0.035 fM.
A Cu-functionalized MOF and multi-walled carbon nanotube composite modified electrode for the simultaneous determination of hydroquinone and catechol
Authors: Zhang Hong-jing , Zou Xin , Chen Wen-yi , Sun Qian , Gao En-qing
Published: September 2022

A novel electrochemical sensor based on a copper-functionalized MOF composite for simultaneously determining dihydroxybenzene isomers in actual water samples.
SIWV tetrapeptide and ROS-responsive prodrug conjugate for advanced glioblastoma therapy
Authors: Park Yoon Kyung , Jangili Paramesh , Zi Soyu , Kang Rae Hyung , Kim Dokyoung , Kim Jong Seung
Published: September 2022

A new bioconjugate based on glioblastoma multiforme (GBM)-homing SIWV tetrapeptide and an ROS-responsive prodrug is disclosed.
A helical polypyrrole nanotube interwoven zeolitic imidazolate framework and its derivative as an oxygen electrocatalyst
Authors: Bao Zijia , Wang Yanzhi , Shi Mengke , Wang Xinyue , Liang Zuozhong , Huang Zhehao , Zhang Wei , Cao Rui , Zheng Haoquan
Published: September 2022

A helical polypyrrole nanotube interwoven zeolitic imidazolate framework (ZIF) has been prepared for the first time.
Catalytic asymmetric synthesis of medium-sized bridged biaryls
Authors: Kotwal Namrata , Tamanna  , Chauhan Pankaj
Published: September 2022

This article highlights the seminal works in the organo- and metal-catalysed asymmetric synthesis of seven-, eight-, and nine-membered bridged biaryls bearing a chiral axis/one or more asymmetric carbon centres.
Photochemical separation of plutonium from uranium
Authors: DiMucci Ida M. , Root Harrison D. , Jones Zachary R. , Kozimor Stosh A. , MacInnes Molly M. , Miller Jeffrey L. , Mocko Veronika , Oldham Warren J. , Stein Benjamin W.
Published: September 2022

Photochemical reduction and separation of plutonium from uranium in acidic solutions is described as a potential alternative to conventional separations that employ harsh chemical redox agents.
Modular silacyclopropenes: synthesis and application for Si–H containing substrate functionalization
Authors: Nobis Matthias , Inoue Shigeyoshi , Rieger Bernhard
Published: September 2022

We report an effective and versatile method to functionalize Si–H containing substrates with monofunctional silacyclopropenes as modular units in a hydrosilylation reaction.
Bulk-immiscible CuAg alloy nanorods prepared by phase transition from oxides for electrochemical CO2 reduction
Authors: Yu Yihong , Wang Di , Hong Yimeng , Zhang Teng , Liu Chuangwei , Chen Jing , Qin Gaowu , Li Song
Published: September 2022

A solid-solution nanoalloy of bulk-immiscible CuAg synthesized by far-from-equilibrium electrochemical reduction from the parent oxide exhibits enhanced tandem catalysis for CO2 reduction.
Unsymmetrical benzothiazole-based dithienylethene photoswitches
Authors: Bovoloni Michelangelo , Filo Juraj , Sigmundová Ivica , Magdolen Peter , Budzák Šimon , Procházková Eliška , Tommasini Matteo , Cigáň Marek , Bianco Andrea
Published: September 2022

Unsymmetrical benzothiazole based dithienylethenes represent P-type photoswitches with high thermal stability, efficient photocyclization, good resistance to photodegradation and non-destructive readout possibility of coded information using vibrational spectroscopy.
Evaluating fast methods for static polarizabilities on extended conjugated oligomers
Authors: Hiener Danielle C. , Folmsbee Dakota L. , Langkamp Luke A. , Hutchison Geoffrey R.
Published: September 2022

Given the importance of accurate polarizability calculations to many chemical applications, and the need for efficiency when calculating the properties of sets of molecules or large oligomers, we present a benchmark study on calculation methods for polarizable materials.
Magnetic response properties of carbon nano-onions
Authors: Orozco-Ic Mesías , Sundholm Dage
Published: September 2022

The magnetically induced current density and the induced magnetic field have been calculated using the pseudo-π model for carbon nano-onions and compared to the ones for the individual fullerenes.
Physical and electrochemical properties of new structurally flexible imidazolium phosphate ionic liquids
Authors: Bhowmick Sourav , Filippov Andrei , Khan Inayat Ali , Shah Faiz Ullah
Published: September 2022

New structurally flexible 1-methyl- and 1,2-dimethyl-imidazolium phosphate ionic liquids (ILs) bearing oligoethers have been synthesized and thoroughly characterized.
Photoelectron–photoion(s) coincidence studies of molecules of biological interest
Authors: Bolognesi P. , Avaldi L.
Published: September 2022

Photoelectron–photoion(s) coincidence, PEPICO, experiments with synchrotron radiation have become one of the most powerful tools to investigate dissociative photoionization thanks to their selectivity.
Vibrational-state dependent decay dynamics of 2-pyridone excited to the S1 electronic state
Authors: Yang Dongyuan , Min Yanjun , Feng Baihui , Yang Xueming , Wu Guorong
Published: September 2022

Vibrational-state dependent decay dynamics of 2-pyridone excited to the S1 electronic state is revealed by a time-resolved photoelectron spectroscopy study.
Trimetallic clusters in the sumanene bowl for dinitrogen activation
Authors: Wang Ya-Ya , Ding Xun-Lei , Chen Yan , Wang Meng-Meng , Li Wei , Wang Xin
Published: September 2022

Sumanene (C21H12), a bowl-like organic molecule, is suggested to be a suitable substrate to support M3in the activation of N2with enhanced stability and maintained a high level of reactivity compared to bare M3.
Liquid crystalline self-assembly of azulene–thiophene hybrids and their applications as OFET materials
Authors: Schulz Finn , Takamaru Shun , Bens Tobias , Hanna Jun-ichi , Sarkar Biprajit , Laschat Sabine , Iino Hiroaki
Published: September 2022

Liquid crystalline smectic E phases of azulene–thiophene hybrids are used for the preparation of uniform thin films and OFETs.
A stable Cd-MOF as a dual-responsive luminescent biosensor for the determination of urinary diphenyl phosphate and hippuric acid as biomarkers for human triphenyl phosphate and toluene poisoning
Authors: Lei Mingyuan , Ge Fayuan , Wu Tingting , Duan Xinde , Shi Zhiqiang , Zheng Hegen
Published: September 2022

A stable 3D urea-functionalized Cd-MOF has been synthesized, and can be used as a dual-responsive luminescent biosensor for the detection of urinary DPP and HA as biomarkers for human triphenyl phosphate and toluene poisoning.
Tuning of the thermal quenching performance of Bi3+-doped scheelite Ca(Mo/W)O4 solid solution phosphors
Authors: Xiao Ran , Guo Ning , Lv Xiang , Ma Qincan , Shao Baiqi , Ouyang Ruizhuo
Published: September 2022

The solid solution substitution strategy was adopted, and the ligand cation in the matrix was replaced from Mo to W, which improved the thermal quenching performance of the phosphor.
Toward the fast and durable alkaline hydrogen oxidation reaction on ruthenium
Authors: Zhang Xiaoyu (Baohua) , Xiao Xuezhang , Chen Jian , Liu Yongfeng , Pan Hongge , Sun Wenping , Gao Mingxia
Published: September 2022

This review summarizes the recent progress on Ru-based electrocatalysts for hydrogen oxidation reaction (HOR) in alkaline media, and will advance the development of robust alkaline HOR electrocatalysts for anion exchange membrane fuel cells (AEMFCs).
Isolation and purification of 4-propylguaiacol and 4-propylsyringol by extraction and crystallization from the products of reductive catalytic fractionation processes
Authors: Ren Tianyu , Zhang Zhaofeng , You Shengping , Qi Wei , Su Rongxin , He Zhimin
Published: September 2022

We report an easy protocol based on extraction and crystallization to isolate and purify 4-propylguaiacol and 4-propylsyringol from RCF-based products. GC purities reached 93.1% and 98.3%, respectively.
Efficient synthesis of new 6-arylphenanthridines based on microwave-assisted Suzuki–Miyaura cross-coupling and Pictet–Spengler dehydrogenative cyclization in a zinc chloride/[Bmim]BF4 mixture
Authors: Villamizar-Mogotocoro Andrés-Felipe , Bonilla-Castañeda Sandra-Milena , Kouznetsov Vladimir V.
Published: September 2022

An eco-friendly, efficient method for the synthesis of new bioactive 6-arylphenanthridines was developed based on consecutive MW-assisted Suzuki–Miyaura and Pictet–Spengler processes using a ZnCl2/[Bmim]BF4 mixture.
Cloud point extraction hyphenated to single-particle ICP-MS minimizes background signals and improves particle size detection limit for ultra trace analysis of nanoparticulate rhodium
Authors: Weigl Florian , Schuster Michael
Published: September 2022

Cloud point extraction eliminates the background signal in inductively coupled plasma mass spectrometry (spICP-MS) analysis improving particle counting accuracy, particle mass quantification, and particle size determination.
A Zn/Co bimetal zeolitic imidazolate framework material as a catalyst to activate persulfates to degrade tylosin in aqueous solutions
Authors: Ling Fei , Xiao Xinfeng , Li Yanjun , Li Wenfang
Published: September 2022

The bimetallic catalyst ZIF-11(Zn/Co)-2 activates persulfates and has an excellent removal effect on tylosin in aqueous solutions.
Benzophenone core-based AIE-active photosensitizers for mitochondria-targeted photodynamic therapy
Authors: Sun Zhenfan , Wang Haiyang , Lin Faxu , Liang Guodong , Qin Tian , Yang Zhiyong , Chi Zhenguo
Published: September 2022

AIE active photosensitizer of OMEPYH with benzophenone core and methylpyridinium group exhibited highly efficient generation of both type-I and type-II reactive oxygen species, which can be used for mitochondria-targeted photodynamic therapy (PDT).
Tuning product selectivity in the MTO reaction over Zn-modified SSZ-13 catalysts
Authors: Zhang Shuaiguo , Li Qiang , Mou Yahang , Bing Liancheng , Wang Fang , Han Dezhi , Wang Guangjian
Published: September 2022

In this work, Zn-modified SSZ-13 catalysts with different spatial distributions of zinc species were prepared by ion exchange (IE), wet impregnation (WI) andin situsynthesis (IS) methods employed for the methanol-to-olefin (MTO) reaction.
Chemoselective and diastereodivergent synthesis of new spirooxindolo-pyrrolizidines and pyrrolidines stemming from unsymmetrical 1,3-bis(arylidene)tetral-2-ones: a combined experimental and theoretical study
Authors: Gazzeh Houda , Rouatbi Fadwa , Chniti Sami , Askri Moheddine , Knorr Michael , Strohmann Carsten , Golz Christopher , Lamsabhi Al Mokhtar
Published: September 2022

An experimental and theoretical study of an efficient one-pot three-components cycloaddition reaction leading to pentacyclic dispiropyrrolizidin/pyrrolidinoxindoles endowed by four contiguous stereogenic centres with moderate to good yields was reported.
Correction: Preparation of fluorescent graphene quantum dots from humic acid for bioimaging application
Authors: Shi Weijie , Fan Hai , Ai Shiyun , Zhu Lusheng
Published: September 2022

Correction for ‘Preparation of fluorescent graphene quantum dots from humic acid for bioimaging application’ by Weijie Shi et al., New J. Chem., 2015, 39, 7054–7059, https://doi.org/10.1039/C5NJ00760G.
Chemistry and biosynthesis of bacterial polycyclic xanthone natural products
Authors: Kong Lingxin , Deng Zixin , You Delin
Published: September 2022

The structures, biological activities, possible cytotoxic mechanisms, biosynthesis and chemical synthesis of bacterial polycyclic xanthone natural products (BPXNPs) are discussed.
Catalytic C(sp)–Si cross-coupling silylation of alkynyl bromides with hydrosilanes by palladium catalysis
Authors: Zhou Xiao-Hua , Fang Xiao-Jun , Ling Fang-Ying , Xu Zheng , Hong Li-Quan , Ye Fei , Xu Li-Wen
Published: September 2022

An unprecedented and convenient Si–C(sp) bond-forming cross-coupling of alkynyl bromides with hydrosilanes has been established for the facile synthesis of alkynylsilanes in good yields and with excellent chemoselectivity.
Photodegradation of 2,4-D (dichlorophenoxyacetic acid) with Rh/TiO2; comparative study with other noble metals (Ru, Pt, and Au)
Authors: Reguero-Márquez G. A. , Lunagómez-Rocha M. A. , Cervantes-Uribe A. , Angel G. del , Rangel I. , Torres-Torres J. G. , González F. , Godavarthi S. , Arevalo-Perez J. C. , Espinosa de los Monteros A. E. , Silahua-Pavon A. A.
Published: September 2022

The optimum catalyst for the photocatalytic degradation of 2,4-D was Rh (1%)/TiO2 by UV radiation. The Rh presents a strong metal-support interaction and improves the photocatalytic properties of TiO2, modifying its band gap energy.
Current research situation and future prospect of superwetting smart oil/water separation materials
Authors: Xiang Bin , Sun Qing , Zhong Qi , Mu Peng , Li Jian
Published: September 2022

Smart materials with convertible wettability interfaces enable to sustainably treat oil spills and purify oily wastewater.
A hybrid tracking control strategy for an unmanned underwater vehicle aided with bioinspired neural dynamics
Authors: Xu Zhe , Yan Tao , Yang Simon X. , Gadsden S. Andrew
Published: September 2022

Tracking control has been a vital research topic in robotics. This paper presents a novel hybrid control strategy for an unmanned underwater vehicle (UUV) based on a bioinspired neural dynamics model. An enhanced backstepping kinematic control strategy is first developed to avoid sharp velocity jumps and provides smooth velocity commands relative to conventional methods. Then, a novel sliding mode control is proposed, which is capable of providing smooth and continuous torque commands free from chattering. In comparative studies, the proposed combined hybrid control strategy has ensured control signal smoothness, which is critical in real‐world applications, especially for a UUV that needs to operate in complex underwater environments.
I‐CenterNet: Road infrared target detection based on improved CenterNet
Authors: Li Xiang , Qian Yurong , Guo Rui , Ao Naixiang
Published: September 2022

Infrared target detection has strong anti‐interference ability, long working distance and can work day and night. So it is widely used in military security and transportation fields, and infrared road object detection is critical in traffic checkpoints and autonomous driving. However, the target scale in infrared images changes greatly, small targets are difficult to detect, the poor image quality and low signal‐to‐noise ratio are still huge challenges in infrared target detection. This paper proposes an improved infrared target detection model I‐CenterNet based on the anchor‐free model CenterNet. The EfficientNetV2 with the channel attention mechanism is used instead of the traditional structure as the backbone network to enhance feature extraction. In order to reduce the noise of the input infrared image, Dilated‐Residual U‐net (DRUNet) is used. Meanwhile, feature pyramid and Sub‐Pixel are combined for multi‐scale feature fusion. Data enhancement is implemented to improve model performance. The experimental results show that the average detection accuracy of this model on the Flir infrared data set is 87.9%, and the average detection speed reaches 14.2 frames/s.
Probing the megaparsec-scale environment of hyperluminous infrared galaxies at 2 < z < 4
Authors: Gao F. , Wang L. , Ramos Padilla A. F. , Clements D. , Farrah D. , Huang T.
Published: September 2022

Context. Protoclusters are progenitors of galaxy clusters and they serve as an important key in studies of how halo mass and stellar mass assemble in the early universe. Finding the signposts of such overdense regions, such as bright dusty star-forming galaxies (DSFG), is a popular method for identifying protocluster candidates.

Aims. Hyperluminous infrared galaxies (HLIRGs) are ultramassive and show extreme levels of dusty star formation and black hole accretion that are expected to reside in overdense regions with massive halos. We study the megaparsec-scale environment of the largest HLIRG sample to date (526 HLIRGs over 26 deg2) and we investigate whether they are, in fact, predominantly located in overdense regions.

Methods. We first explored the surface density of Herschel 250 μm sources around HLIRGs and made comparisons with the corresponding values around random positions. Then, we compared the spatial distribution of neighbors around HLIRGs with their counterparts around randomly selected galaxies using a deep IRAC-selected catalog with good-quality photometric redshifts. We also used a redshift-matched quasar sample and submillimeter galaxy (SMG) sample to validate our method, as previous clustering studies have measured the host halo masses of these populations. Finally, we adopted a friends of friends (FoF) algorithm to look for (proto)clusters hosting HLIRGs.

Results. We find that HLIRGs tend to have more bright star-forming neighbors (with 250 μm flux density > 10 mJy) within a 100″ projected radius (∼0.8 Mpc at 2 < z < 4), as compared to a random galaxy at a 3.7σ significance. In our 3D analysis, we find relatively weak excess of IRAC-selected sources within 3 Mpc around HLIRGs compared with random galaxy neighbors, mainly influenced by photometric redshift uncertainty and survey depth. We find a more significant difference (at a 4.7σ significance) in the number of Low Frequency Array (LOFAR)-detected neighbors in the deepest ELAIS-N1 (EN1) field. Furthermore, HLIRGs at 3 < z < 4 show stronger excess compared to HLIRGs at 2 < z < 3 (0.13 ± 0.04 and 0.14 ± 0.01 neighbors around HLIRGs and random positions at 2 < z < 3, respectively, and 0.08 ± 0.04 and 0.05 ± 0.01 neighbors around HLIRGs and random positions at 3 < z < 4, respectively), which is consistent with cosmic downsizing. Finally, we present a list of 30 of the most promising protocluster candidates selected for future follow-up observations.
Laboratory detection and astronomical study of interstellar acetohydroxamic acid, a glycine isomer
Authors: Sanz-Novo M. , Alonso J. L. , Rivilla V. M. , McGuire B. A. , León I. , Mata S. , Jimenez-Serra I. , Martín-Pintado J.
Published: September 2022

Aims. In this work, we aim to achieve the first laboratory detection of acetohydroxamic acid (CH3CONHOH), a relevant glycine isomer, to enable its eventual identification in the ISM.

Methods. We employed a battery of state-of-the-art rotational spectroscopic techniques in the time domain to measure the microwave spectrum of acetohydroxamic acid. We then used the spectral GOTHAM survey performed with the Green Bank Telescope (GBT) to search for the lowest-energy Z-conformer toward the cold and quiescent molecular cloud TMC-1. We also employed a sensitive spectral survey of the chemically rich Galactic Center molecular cloud G+0.693-0.027, based on IRAM 30 m and Yebes 40 m observations.

Results. We report direct experimental frequencies of the ground state of acetohydroxamic acid (up to 40 GHz). The 14N nuclear quadrupole hyperfine structure and the A-E splittings due to the internal rotation were observed and analyzed. Hence, a precise set of the rotational spectroscopic parameters were determined for the two distinct conformers, Z- and E-acetohydroxamic acid, which is the initial and prerequisite step of their radio astronomical search in the ISM using low-frequency surveys. We report the nondetection of acetohydroxamic acid toward both astronomical sources. We derive an upper limit to the column density of this molecule very similar to that obtained for glycine. Its corresponding molecular abundance with respect to molecular hydrogen is found to be ≤1 × 10−9 and 2 × 10−10 in TMC-1 and G+0.693-0.027, respectively, which further constrain the abundance of this glycine isomer in the ISM.
The chemical signature of the Galactic spiral arms revealed by Gaia DR3
Authors: Poggio E. , Recio-Blanco A. , Palicio P. A. , Re Fiorentin P. , de Laverny P. , Drimmel R. , Kordopatis G. , Lattanzi M. G. , Schultheis M. , Spagna A. , Spitoni E.
Published: September 2022

Taking advantage of the recent Gaia Data Release 3 (DR3), we mapped chemical inhomogeneities in the Milky Way’s disc out to a distance of ∼4 kpc from the Sun, using different samples of bright giant stars. The samples were selected using effective temperatures and surface gravities from the GSP-Spec module, and they are expected to trace stellar populations of a different typical age. The cool (old) giants exhibit a relatively smooth radial metallicity gradient with an azimuthal dependence. Binning in Galactic azimuth ϕ, the slope gradually varies from d[M/H]/dR ∼ −0.054 dex kpc−1 at ϕ ∼ −20° to ∼ − 0.036 dex kpc−1 at ϕ ∼ 20°. On the other hand, the relatively hotter (and younger) stars present remarkable inhomogeneities, which are apparent as three (possibly four) metal-rich elongated features in correspondence with the spiral arms’ locations in the Galactic disc. When projected onto the Galactic radius, those features manifest themselves as statistically significant bumps on top of the observed radial metallicity gradients with amplitudes up to ∼0.05–0.1 dex, making the assumption of a linear radial decrease not applicable for this sample. The strong correlation between the spiral structure of the Galaxy and the observed chemical pattern in the young sample indicates that the spiral arms might be at the origin of the detected chemical inhomogeneities. In this scenario, the spiral arms would leave a strong signature in the younger stars which progressively disappears when cooler (and older) giants are considered.
Neurorehabilitation zerebraler Gliome: Implikationen für die
soziale und berufliche Integration
Authors: Bujan B. , Ziecina P. , Ginzburg E.
Published: September 2022

Die glialen Tumoren gehören zu den häufigsten primären
Tumoren des zentralen Nervensystems und weisen ein variables biologisches und
klinisches Verhalten abhängig vom Malignitätsgrad (WHO-Grad)
auf. Im Rahmen einer retrospektiven Studie wurden 350 Patienten mit der Diagnose
zerebrale Gliome im Alter zwischen 22 und 84 Jahren rekrutiert, die in der
Klinik für Neurologie des Reha-Zentrums Bad Orb stationär
behandelt wurden. In die Studie eingeschlossen wurden alle Patienten mit
histologisch gesicherten zerebralen Gliomen und vorliegender Graduierung der
Malignität nach der WHO-Klassifikation (n=333). Unsere
retrospektive Analyse legte nahe, dass der höhere
Malignitätsgrad (WHO-Grad III und IV bei 86% der Patienten mit
Leistungseinschränkungen), das Alter (56,4±3,46; p≤0,005
vs. 48,3±1,53; p≤0,005) sowie kognitive Defizite (71%
der Patienten mit Leistungseinschränkungen) prognostisch als
entscheidende limitierende Faktoren für die erfolgreiche berufliche
Integration sowie die Aufrechterhaltung von Alltagskompetenzen zu identifizieren
sind. Diese Arbeit trägt zu einem besseren Verständnis der
Komplexität neuroonkologischer und sozialmedizinischer Versorgung im
Rahmen der stationären Neurorehabilitation bei. Die Analyse und unsere
Erfahrung zeigen, dass die zeitnahe Beurteilung der umweltbezogenen
Kontextfaktoren, der psychosozialen Krankheitsfolgen sowie der
Leistungsfähigkeit und Alltagskompetenzen enorm wichtig für die
langfristige, erfolgreiche neuroonkologische Betreuung ist.
Aktueller Stand und Herausforderungen der Schlaganfall- und
neurologischen Rehabilitation in Großbritannien
Authors: Clark Beth
Published: September 2022

Dieser Artikel befasst sich mit dem aktuellen Stand der Schlaganfall- und
neurologischen Rehabilitation im Nationalen Gesundheitsdienst (NHS) in
Großbritannien aus der Sicht der Autorin, gestützt durch
wissenschaftliche Publikationen und Literatur.
Neurorehabilitation in Belgien
Authors: Thijs Liselot
Published: September 2022

Wie ist die Neurorehabilitation im europäischen Nachbarland Belgien
organisiert? Welche Inhalte und Verfahren werden in Kliniken und
Rehabilitationszentren angewendet, und in welchem Umfang? Wie sieht die weitere
Betreuung aus? Diese und andere Fragen beantwortet der Artikel in
übersichtlicher und präziser Form.
Under pressure: testing the compressional stress stiffening of synthetic detergents
Authors: Johnson-Groh Mara
Published: September 2022

Studying synthetic detergent deformation properties to improve the production of solid shampoo, conditioner, and facial soap bars.