bluuebunny/crossref_metadata_2025 huggingface dataset:
The importance of school culture in supporting student mental health in secondary schools. Insights from a qualitative study
Authors: Barker Rhiannon , Hartwell Greg , Egan Matt , Lock Karen
Published: February 2023

Schools have the potential to provide a place of education and sanctuary for children and young people of all backgrounds. The rise in mental health problems in children and young people in the wake of the COVID‐19 pandemic, particularly in relation to growing inequities, means that identifying ways in which schools can help respond to this growing mental health crisis demands urgent attention. This paper reports on case studies carried out in two London comprehensive schools, exploring how aspects of school culture impact (both positively and negatively) on student mental health. Methods comprised in‐depth interviews with school staff and parents, focus groups with students and documentary analysis of relevant materials. Fieldwork was conducted during spring 2021 as schools were returning to face‐to‐face learning following national periods of lockdown. Our study shows how schools might attempt to drive positive mental health outcomes through aspects of school culture and uses a system framework to explore complexities around cause and effect in this area. Key findings include the considerable differences in school mental health provision, challenges in the identification of student mental health needs and the importance of recognising how the mental health of teachers must be considered alongside that of students. Overall, we highlight particular dilemmas of the post‐lockdown era that our findings indicate for the education sector, and suggest there may be value in reframing the apparent conflict between ‘attainment gaps’ and personal development, moving towards an educational approach with greater complementarity of these aims.
Spatial correlated incidence modeling with zero inflation
Authors: Wang Feifei , Li Haofeng , Wang Han , Li Yang
Published: February 2023

Disease mapping models have been popularly used to model disease incidence with spatial correlation. In disease mapping models, zero inflation is an important issue, which often occurs in disease incidence datasets with high proportions of zero disease count. It is originated from limited survey coverage or unadvanced testing equipment, which makes some regions have no observed patients. Then excessive zeros recorded in the disease incidence dataset would mess up the true distributions of disease incidence and lead to inaccurate estimates. To address this issue, a zero‐inflated disease mapping model is developed in this work. In this model, a zero‐inflated process using Bernoulli indicators is assumed to characterize whether the zero inflation occurs for each region. For regions without zero inflation, a coherent and generative disease mapping model is applied for mapping the spatially correlated disease incidence. Independent spatial random effects are incorporated in both processes to account for the spatial patterns of zero inflation and disease incidence. External covariates are also considered in both processes to better explain the disease count data. To estimate the model, a Markov chain Monte Carlo algorithm is proposed. We evaluate model performance via a variety of simulation experiments. Finally, a Lyme disease dataset of Virginia is analyzed to illustrate the application of the proposed model.
Phases of methodological research in biostatistics—Building the evidence base for new methods
Authors: Heinze Georg , Boulesteix Anne‐Laure , Kammer Michael , Morris Tim P. , White Ian R. ,   the Simulation Panel of the STRATOS initiative
Published: February 2023

Although new biostatistical methods are published at a very high rate, many of these developments are not trustworthy enough to be adopted by the scientific community. We propose a framework to think about how a piece of methodological work contributes to the evidence base for a method. Similar to the well‐known phases of clinical research in drug development, we propose to define four phases of methodological research. These four phases cover (I) proposing a new methodological idea while providing, for example, logical reasoning or proofs, (II) providing empirical evidence, first in a narrow target setting, then (III) in an extended range of settings and for various outcomes, accompanied by appropriate application examples, and (IV) investigations that establish a method as sufficiently well‐understood to know when it is preferred over others and when it is not; that is, its pitfalls. We suggest basic definitions of the four phases to provoke thought and discussion rather than devising an unambiguous classification of studies into phases. Too many methodological developments finish before phase III/IV, but we give two examples with references. Our concept rebalances the emphasis to studies in phases III and IV, that is, carefully planned method comparison studies and studies that explore the empirical properties of existing methods in a wider range of problems.
Multifocal/multicentric breast cancer: Does each focus matter?
Authors: Tong Ying , Sun Feixiang , Zhang Chuanpeng , Yang Susu , Yu Ziyi , Zhao Yi
Published: February 2023

Background

Multifocal (MF) and multicentric (MC) breast cancer cases have been increasingly diagnosed owing to the extensive use of improved preoperative breast imaging. The current tumor‐node‐metastasis staging system uses the dimension of the largest tumor and recommends reporting the pathological features of the largest tumor in MF/MC breast cancers.

Aim

This study aimed to explore whether the largest or aggregate dimensions of MF and MC breast cancers can better predict tumor behavior. We also attempted to study the histological and biological heterogeneities of separate foci in MF and MC breast cancers to determine whether it was necessary to examine each lesion.

Methods

We retrospectively analyzed 121 patients with MF/MC (103 with MF and 18 with MC) breast cancers and 484 patients with unifocal breast cancer who were treated at the First Affiliated Hospital of Nanjing Medical University. Two methods were used to record the T stage (using the dimensions of the largest lesion and aggregate dimensions of all lesions). The histological grade, immunohistochemical parameters, and molecular subtypes of the largest lesion and other lesions in MF/MC breast cancers were studied to assess intertumoral heterogeneity.

Results

The use of aggregate dimensions upstaged 63 patients with MF/MC breast cancers to a more advanced stage and removed the independent effect of cancer multiplicity on lymph node positivity compared with the use of the largest dimension. Mismatches were found in the pathological type (9.9%), histological grade (4.1%), and molecular subtype (8.3%) among different foci.

Conclusion

The tendency of MF/MC breast tumors to metastasize may be related to tumor load, which can be better predicted by the aggregate dimensions of all foci. The use of the current staging systems may require further evaluation and modification. Intertumoral heterogeneity indicates the necessity for pathological and immunohistochemical assessments of each lesion in patients with MF/MC breast cancers.
Ameta‐analysisof the effects ofafter‐schoolprogrammes among youth with marginalized identities
Authors: Christensen Kirsten M. , Kremer Kristen P. , Poon Cyanea Y. S. , Rhodes Jean E.
Published: February 2023

After‐school programmes (ASPs) often provide youth with a safer alternative to unstructured time while providing a context for building skills and forging positive relationships with programme staff and peers. ASPs may be particularly effective for youth with marginalized identities, including youth of colour and youth from low‐income backgrounds. Despite this promise, few rigorous evaluations of ASPs have been conducted and even fewer meta‐analyses have investigated the effects of ASPs among youth with marginalized identities. Using a multi‐level meta‐analysis of 615 effect sizes across 56 studies (overalln = 128,538), the current study examined the overall effects of ASPs on internalizing, externalizing, school‐related, social functioning, and self‐perception/identity outcomes among kindergarten through 12th grade youth with marginalized identities. Results indicated ASPs to have a small, yet significant positive overall effect on youth outcomes (g = 0.2049,p = .001, 95% CI = 0.08–0.33). Moderator analyses revealed significant differences in effects based on outcome source and outcome measure type. Given the ubiquity of ASPs and the challenges that youth experiencing marginalization face, this study uniquely adds to the existing literature and outlines important implications and recommendations for research, policy, and practice.
An EEG‐based neuro‐recommendation system for improving consumer purchase experience
Authors: Panda Debadrita , Chakladar Debashis Das , Rana Sudhir , Parayitam Satyanarayana
Published: February 2023

The aperture between the marketing domain and the electroencephalography (EEG)‐based brain–computer interface (BCI) has been achieved with the inception of neuromarketing. This domain helps access the hidden information of the preferences and tastes of the consumers who intend to purchase. Research scholars have experimented with this emerging area in multiple aspects like designing pricing, promotions, predicting purchase‐related activities, new product development, and so on. In this study, we have proposed an innovative use of neuromarketing to build a recommendation system. This recommendation system can potentially suggest suitable products to the consumer based on the past purchase behavior. This proposal carries huge potential in converting visitors to shoppers, increasing average order value, increasing the number of items per order, designing personalized promotions, and so on. The commonality of activated brain signals has been used to build this recommendation system. This neuromarketing‐based recommendation system carries the advantage over the traditional recommendation system as this system suggests products based on the actual real‐time state of the brain during the purchase. This system successfully initiated the starting point of building a neuromarketing‐based recommendation system.
Environmentally‐Friendly Pesticidal Activities ofCallicarpaandKaromiaEssential Oils from Vietnam and Their Microemulsions
Authors: Hung Nguyen Huy , Quan Pham Minh , Dai Do Ngoc , Satyal Prabodh , Huong Le Thi , Giang Le Duc , Hung Le Thanh , Setzer William N.
Published: February 2023

There is an ongoing interest to identify alternative pesticidal agents to avoid the chronic problems associated with synthetic pesticides. Essential oils have shown promise as botanical pest control agents. In the present study, the essential oils of four members of the Lamiaceae (Callicarpa candicans,C. erioclona,C. macrophylla, andKaromia fragrans; Vietnamese names: Nàng nàng, Tu châu lông mem, Tu châu lá to and Cà diện, respectively), obtained from wild populations in Vietnam, have been obtained by hydrodistillation and analyzed by gas chromatography‐mass spectrometry. The essential oils were formulated into microemulsions and the essential oils and their microemulsions were screened for mosquito larvicidal activity againstAedes aegypti,Aedes albopictus,Culex quinquefasciatus, and for molluscicidal activity againstPomacea canaliculata. Atractylone and (E)‐caryophyllene dominated the volatiles ofC. candicans(CCEO) andC. erioclona(CEEO), while the major component inC. macrophylla(CMEO) andK. fragrans(KFEO) was (E)‐caryophyllene. The essential oils and microemulsions of bothC. candicansandC. erioclonaexhibited excellent larvicidal activity against all three mosquito species (Ae. aegypti,Ae. albopictus, andCx. quinquefasciatus) with LC50values <10 μg/mL. Additionally, the larvicidal activity of the microemulsions were significantly improved compared with their free essential oils, especially forC. candicansandC. erioclona. All four essential oils and their microemulsions showed excellent molluscicidal activity with LC50<10 μg/mL. In most cases, the essential oils and microemulsions showed greater pesticidal activity against target organisms than the non‐target freshwater fish,Oreochromis niloticus. Thein silicostudies on physicochemical and ADMET properties of the major components in the studied essential oils were also investigated and most of the compounds possessed a favorable ADMET profile. Computational modeling studies of the studied compounds demonstrated a favorable binding interaction with the mosquito odorant‐binding protein target and support atractylone, β‐selinene, and caryophyllene oxide as potential inhibitors. Based on the observed pesticidal activities of the essential oils and their microemulsions, theCallicarpaspecies andK. fragransshould be considered for potential cultivation and further exploration as botanical pesticidal agents.
COVID‐19: A trigger of autoimmune diseases
Authors: Zebardast Arghavan , Hasanzadeh Ali , Ebrahimian Shiadeh Seyedeh Arefeh , Tourani Mehdi , Yahyapour Yousef
Published: February 2023

The SARS‐coronavirus‐2 (SARS‐CoV‐2) that causes coronavirus disease 2019 (COVID‐19), has spread worldwide and caused a global health emergency. SARS‐CoV‐2 is a coronaviridae virus that infects target cells by interacting with the plasma membrane‐expressed angiotensin‐converting enzyme 2 (ACE2) via the S1 component of the S protein. Effective host immune response to SARS‐CoV‐2 infection, which includes both innate and adaptive immunity, is critical for virus management and elimination. The intensity and outcome of COVID‐19 may be related to an overabundance of pro‐inflammatory cytokines, which results in a “cytokine storm” and acute respiratory distress syndrome. After SARS‐CoV‐2 infection, the immune system's hyperactivity and production of autoantibodies may result in autoimmune diseases such as autoimmune hemolytic anemia, autoimmune thrombocytopenia, Guillain‐Barré syndrome, vasculitis, multiple sclerosis, pro‐thrombotic state, and diffuse coagulopathy, as well as certain autoinflammatory conditions such as Kawasaki disease in children. We have reviewed the association between COVID‐19 and autoimmune disorders in this article.
Impact of proximal cap ambiguity on the procedural techniques and outcomes of chronic total occlusion percutaneous coronary intervention: Insights from the PROGRESS‐CTO Registry
Authors: Kostantinis Spyridon , Simsek Bahadir , Karacsonyi Judit , Rempakos Athanasios , Alaswad Khaldoon , Megaly Michael , Krestyaninov Oleg , Khelimskii Dmitrii , Karmpaliotis Dimitrios , Jaffer Farouc A. , Khatri Jaikirshan J. , Poommipanit Paul , Patel Mitul P. , Mahmud Ehtisham , Koutouzis Michael , Tsiafoutis Ioannis , Gorgulu Sevket , Elbarouni Basem , Nicholson William , Jaber Wissam , Rinfret Stephane , Abi Rafeh Nidal , Goktekin Omer , ElGuindy Ahmed M. , Allana Salman S. , Rangan Bavana V. , Sandoval Yader , Burke M. Nicholas , Brilakis Emmanouil S.
Published: February 2023

Background

Proximal cap ambiguity is a key parameter in the global chronic total occlusion (CTO) percutaneous coronary intervention (PCI) crossing algorithm.

Methods

We examined the baseline characteristics and procedural outcomes of 9718 CTO PCIs performed in 9498 patients at 41 US and non‐US centers between 2012 and 2022.

Results

Proximal cap ambiguity was present in 35% of CTO lesions. Patients whose lesions had proximal cap ambiguity were more likely to have had prior coronary artery bypass graft surgery (37% vs. 24%; p < 0.001). Lesions with proximal cap ambiguity were more complex with higher J‐CTO score (3.1 ± 1.0 vs. 2.0 ± 1.2; p < 0.001) and lower technical (79% vs. 90%; p < 0.001) and procedural (77% vs. 89%; p < 0.001) success rates compared with nonambiguous CTO lesions. The incidence of major adverse cardiovascular events (MACE) was higher in cases with proximal cap ambiguity (2.5% vs. 1.7%; p < 0.001). The retrograde approach was more commonly used among cases with ambiguous proximal cap (50% vs. 21%; p < 0.001) and was more likely to be the final successful crossing strategy (29% vs. 13%; p < 0.001). The antegrade dissection and re‐entry (ADR) “move‐the‐cap” techniques were also more common among cases with proximal cap ambiguity.

Conclusions

Proximal cap ambiguity in CTO lesions is associated with higher utilization of the retrograde approach and ADR, lower technical and procedural success rates, and higher incidence of in‐hospital MACE.
Pt‐Promoted In2O3 Reduction and Reconstruction at the Pt/In2O3 Interface in CO2 Hydrogenation Atmosphere
Authors: Lu Ruichen , Zhang Xianze , Li Shuang‐Shuang , Wang Yingjie , Song Tinglu , Zhu Tong , Zhang Hui , Zheng Renkui , Zhang Xueqiang
Published: February 2023

As an essential path toward the elucidation of the reaction mechanism, the capture of the catalytically active phase and its evolution has been the primary goal of mechanistic studies. Here, the physicochemical properties on In2O3 (111) and Pt/In2O3 (111) thin film model catalysts were tracked in CO2 hydrogenation atmosphere under various pressures and temperatures by ambient pressure X‐ray photoelectron spectroscopy (APXPS). The redox behaviours of surface Pt and In2O3, the formation and interconversion of reaction intermediates, and the structural dynamics at the topmost surface, as a consequence of the outward diffusion of InOx species, nucleation of surface Pt nanostructures and the formation of PtInOx species, were captured and analyzed. The reconstruction at the Pt/In2O3 (111) interface was also observed by time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS) and scanning electron microscopy (SEM) analysis. In‐situ spectroscopic and structural analysis on a well‐defined metal/metal‐oxide interface offers a powerful means to probe the mechanistic details of the heterogeneous processes.
Morpholinium‐Modified, Polyketone‐Based Anion Exchange Membranes for Water Electrolysis
Authors: Bonizzoni Simone , Stucchi Diego , Caielli Tommaso , Sediva Eva , Mauri Michele , Mustarelli Piercarlo
Published: February 2023

Water electrolysis is by far the most appealing method to produce green hydrogen. Among the possible technologies, Anion Exchange Membrane (AEM) water electrolyzers are promising in the medium term, as they make it possible to avoid critical and noble materials as catalyst components. However, AEMs are still lacking in performance and stability, which has become the current research focus. Here, we report the facile and inexpensive chemical modification of polyketone (PK) with a functional unit encompassing morpholinium as the positively charged group, and the fabrication of self‐standing membranes. The synthesis products are investigated with an ensemble of physico‐chemical and spectroscopic techniques, including solid‐state and time‐domain NMR, FT‐IR, and thermal analysis. The membranes show good Ion Exchange Capacity values in the range 1.48–2.24 mmol g−1. A preliminary electrolysis test shows that the PK‐based membrane has performance comparable to that of a commercial one.
X‐Ray Microscopy: A Non‐Destructive Multi‐Scale Imaging to Study the Inner Workings of Batteries
Authors: Cognigni Flavio , Pasquali Mauro , Prosini Pier Paolo , Paoletti Claudia , Aurora Annalisa , Scaramuzzo Francesca Anna , Rossi Marco
Published: February 2023

X‐ray microscopy (XRM) is a non‐destructive characterization technique that provides quantitative information regarding the morphology/composition of the specimen and allows to perform multiscale and multimodal 2D/3D experiments exploiting the radiation‐matter interactions. XRM is particularly suitable to afford in situ images of inner parts of a battery and for the early diagnosis of its degradation in a non‐invasive way. Since traditional characterization techniques (SEM, AFM, XRD) often require the removal of a component from the encapsulated device that may lead to non‐desired contamination of the sample, the non‐destructive multi‐scale potential of XRM represents an important improvement to batteries investigation. In this work, we present the advanced technical features that characterize a sub‐micron X‐ray microscopy system, its use for the investigation of hidden and internal structures of different types of batteries and to understand their behavior and evolution after many charge/discharge cycles.
Electrochemical Cycling Behaviour and Shape Changes of Zn Electrodes in Mildly Acidic Aqueous Electrolytes Containing Quaternary Ammonium Salts
Authors: Bozzini Benedetto , Boniardi Marco , Caielli Tommaso , Casaroli Andrea , Emanuele Elisa , Mancini Lucia , Sodini Nicola , Strada Jacopo
Published: February 2023

Secondary Zn–based batteries are a valid alternative to Li for stationary storage, but commercial devices are not yet available, chiefly owing to anode shape‐change and passivation issues. Mildly acidic aqueous solutions are actively studied, since they seem to limit unstable growth of Zn, with respect to the alkaline ones, customary for primary batteries. Additives can further improve the performance of mildly acidic electrolytes. In this work we focus on the impact of a series of quaternary ammonium salts (TBAB, CTAB, DMDTDAB, BDMPAC, BPPEI, PDADMAC), selected to represent a comprehensive range of molecular functionalities. Electrochemical measurements (cyclic voltammetry, chronopotentiometry and galvanostatic‐cycling in split‐cells), combined with 2D and 3D imaging techniques (SEM, stereomicroscopy and in situ tomography) were adopted for the assessment Zn behaviour. This multi‐technique approach pinpointed TBAB as the single most effective additive for low‐current density operation, while at high current densities the additive‐free electrolyte allows better cycling performance, coherently with similar results for alkaline electrolytes.
Synthesis and Properties of B4N4‐Heteropentalenes Fused with Polycyclic Hydrocarbons
Authors: Kashida Junki , Shoji Yoshiaki , Taka Hideo , Fukushima Takanori
Published: February 2023

Hybrid molecules of π‐conjugated carbon rings and BN‐heterocyclic rings (h‐CBNs) fused with each other have been a rare class of compounds due to the limited availability of their synthetic methods. Here we report the synthesis of new h‐CBNs featuring a B4N4‐heteropentalene core and polycyclic aromatic hydrocarbon wings. Using 1,2‐azaborinine derivatives as a building block, we developed a rational synthetic protocol that allows the formation of a B4N4 ring in a stepwise manner, resulting in the fully fused ABA‐type triblock molecules. Thus, three derivatives of 1 bearing naphthalene (1Naph), anthracene (1Anth), or phenanthrene (1Phen) wings fused with the B4N4 core were synthesized and characterized. Among them, 1Phen, which displays the highest triplet‐state energy, was found to serve a host material for phosphorescent OLED devices, for which a maximum external quantum efficiency of 13.7 % was recorded. These findings may promote the synthesis of various types of h‐CBNs aiming at new properties arising from the synergy of two different π‐electronic systems.
Effective SrWO4/TiO2 Heterojunction with Enhanced Carriers Separation and Transfer for Photocatalytic Methane Oxidation
Authors: Huang Min , Zhang Shuyi , Gan Yongping , Liu Jin , He Zhanjun , Lin Tiejun , Yu Fei , Dai Yuanyuan , Niu Qiang , Zhong Liangshu
Published: February 2023

Photocatalytic methane oxidation to oxygenates with promising performance remains as a grand challenge due to the low productivity and severe overoxidation. Herein, SrWO4/TiO2 heterojunction was developed for photocatalytic methane oxidation with O2 to liquid oxygenates ( Please replace “oxygenates” with “oxygenated”)products under mild reaction conditions. The optimized SrWO4/TiO2 catalyst exhibited high productivity of 13365 μmol/g with high selectivity of 98.7 % for oxygenates. Benefited from the intimate heterojunction interface of SrWO4/TiO2, the constructed I‐type heterostructure improved the separation and transfer of photogenerated carriers, and a high‐speed transfer channel for photogenerated carriers was fabricated. Simultaneously, the special band structure can increase the amount of photogenerated electrons and holes on the TiO2 surface, which promoted the formation of reactive oxygen species to enhance liquid oxygenates productivity.
Synthesis of Sterically Encumbered Alkaline‐Earth Metal Amides Applying the In Situ Grignard Reagent Formation
Authors: Sengupta Simon , Schüler Philipp , Liebing Phil , Westerhausen Matthias
Published: February 2023

Magnesium and calcium are too inert to deprotonate amines directly. For the synthesis of bulky amides alternative strategies are required and in the past,N‐bound trialkylsilyl groups have been used to ease metalation reactions. The in situGrignardreagent formation in stirred suspensions of magnesium or calcium with hydryl halide and imine in THF allows the synthesis of a plethora of amides with bulky silyl‐free substituents. Ball milling protocols partially favor competitive side reactions such as aza‐pinacol coupling reactions. Calcium is the advantageous choice for the in situGrignardreagent formation and subsequent addition onto the imines yielding bulky calcium bis(amides) whereas the stronger reducing heavier alkaline‐earth metals strontium and barium are less selective and hence, the aza‐pinacol coupling reaction becomes competitive. Exemplary, the solid‐state molecular structures of [(Et2O)Mg(N(Ph)(CHPh2)2] and [(Et2O)2Ca(N(Ph)(CHPh2)2] have been determined.
AuNP‐Modulated qPCR: An Optimized System for Detecting MIR Biophotons Released in DNA Replication
Authors: Yang Yu , Peng Daoling , Gu Zhenglong , Jiang Lei , Song Bo
Published: February 2023

Invited for the cover of this issue are Lei Jiang and Bo Song at the University of Shanghai for Science and Technology and the Technical Institute of Physics and Chemistry (CAS), and colleagues at Fudan University and South China Normal University. The image depicts how the hydrolysis of cellular energy molecules (i.e., ATP and dNTPs) releases mid‐infrared photons to efficiently drive biological processes including DNA replication. Read the full text of the article at 10.1002/chem.202203513.
Thermoset/graphene polymer composites—A review of processing and properties
Authors: Lashkari Piyush , Divigalpitiya Ranjith , Hrymak Andrew N.
Published: February 2023

Polymer‐carbon nanocomposites incorporate the exceptional properties of both the polymer matrices, such as low cost and simple processing, with the distinctive features of the carbon‐based fillers, such as high electrical and thermal conductivities, and excellent mechanical properties. Various fillers like carbon black (CB), graphite, expanded graphite (EG), and carbon nanotubes (CNTs) are being used to produce materials with advanced properties. However, at high filler loading, these filler materials have some major challenges such as filler agglomeration. Recently, graphene has gained increased interest as an alternative filler to produce polymer nanocomposites with advanced characteristics. Thermosetting polymer composites with graphene fillers are being considered for multiple applications and are a subject of interest for researchers because of enhanced properties like excellent corrosion resistance and low density. This review outlines studies to improve the mechanical, electrical, and thermal properties of thermoset/graphene composites.
PROTOCOL: Case management interventions seeking to counter radicalisation to violence: A systematic review of tools and approaches
Authors: Lewis James , Marsden Sarah , Cherney Adrian , Zeuthen Martine , Bélanger Jocelyn J. , Zubareva Anastasiia , Brandsch Jürgen , Lubrano Mauro
Published: February 2023

This systematic review consists of two parts. Part I seeks to synthesise evidence from primary or secondary research studies examining the implementation and effectiveness of case management tools and approaches currently being used to counter radicalisation to violence. Part II is an ‘overview of reviews’ that seeks to identify relevant and transferable lessons from systematic reviews and meta‐analyses of case management tools and approaches used in the broader field of violence prevention that could be applied to counter‐radicalisation practice.
Challenges Based on Antiplasmodial and Antiviral Activities of 7‐Chloro‐4‐aminoquinoline Derivatives
Authors: Mizuta Satoshi , Mosaddeque Farhana , Tun Mya Myat Ngwe , Teklemichael Awet Alem , Taniguchi Mayumi , Hosokawa Masashi , Yamaguchi Tomoko , Makau Juliann , Huy Nguyen Tien , Mizukami Shusaku , Nishida Noriyuki , Morita Kouichi , Hirayama Kenji
Published: February 2023

We report the structural functionalization of the terminal amino group of N1‐(7‐chloroquinolin‐4‐yl) butane‐1,4‐diamine, leading to a series of 7‐chloro‐4‐aminoquinoline derivatives, and their evaluation as potent anti‐malarial and anti‐viral agents. Some compounds exhibited promising anti‐malarial effects against the Plasmodium falciparum 3D7 (chloroquine‐sensitive) and Dd2 (chloroquine‐resistant) strains. In addition, these compounds were assayed in vitro against influenza A virus (IAV) and severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). Compound 5 h, bearing an N‐mesityl thiourea group, displayed pronounced anti‐infectious effects against malaria, IAV, and SARS‐CoV‐2. These results provide new insights into drug discovery for the prevention or treatment of malaria and virus co‐infection.
Design, Synthesis, and Biological Evaluation of 2‐Aminothiazole Derivatives as Novel Checkpoint Kinase 1 (CHK1) Inhibitors
Authors: Deng Minjie , Wang Peipei , Long Xiubing , Xu Gaoya , Wang Chang , Li Jia , Zhou Yubo , Liu Tao
Published: February 2023

A series of 2‐aminothiazole derivatives were designed, synthesized on the basis of bioisosterism strategy and evaluated for their CHK1 inhibitory activity. Most of them exhibited potent CHK1 inhibition, and excellent antiproliferative activity against MV‐4‐11 and Z‐138 cell lines. Systematic structure‐activity relationship (SAR) efforts led to the discovery of a promising compound 8 n, which showed potent CHK1 inhibitory activity with IC50 value of 4.25±0.10 nM, excellent antiproliferative activity against MV‐4‐11 and Z‐138 cells with IC50 value of 42.10±5.77 nM and 24.16±6.67 nM, respectively, as well as moderate oral exposure (AUC(0−t)=1076.25 h ⋅ ng/mL) in mice. Additionally, treatment of MV‐4‐11 cells with compound 8 n for 2 h led to robust inhibition of CHK1 autophosphorylation on serine 296. Furthermore, kinase selectivity assay revealed that 8 n displayed acceptable selectivity toward 15 kinases. These results demonstrated that compound 8 n may be a promising potential anticancer agent for further development.
Functional topography of pulvinar–visual cortex networks in macaques revealed by INS–fMRI
Authors: Yao Songping , Shi Sunhang , Zhou Qiuying , Wang Jianbao , Du Xiao , Takahata Toru , Roe Anna Wang
Published: February 2023

The pulvinar in the macaque monkey contains three divisions: the medial pulvinar (PM), the lateral pulvinar (PL), and the inferior pulvinar (PI). Anatomical studies have shown that connections of PM are preferentially distributed to higher association areas, those of PL are biased toward the ventral visual pathway, and those of PI are biased with the dorsal visual pathway. To study functional connections of the pulvinar at mesoscale, we used a novel method called INS–fMRI (infrared neural stimulation and functional magnetic resonance imaging). This method permits studies and comparisons of multiple pulvinar networks within single animals. As previously revealed, stimulations of different sites in PL and PI produced topographically organized focal activations in visual areas V1, V2, and V3. In contrast, PM stimulation elicited little or diffuse response. The relative activations of areas V1, V2, V3A, V3d, V3v, V4, MT, and MST revealed that connections of PL are biased to ventral pathway areas, and those of PI are biased to dorsal areas. Different statistical values of activated blood‐oxygen‐level‐dependent responses produced the same center of activation, indicating stability of connectivity; it also suggests possible dynamics of broad to focal responses from single stimulation sites. These results demonstrate that infrared neural stimulation‐induced connectivity is largely consistent with previous anatomical connectivity studies, thereby demonstrating validity of our novel method. In addition, it suggests additional interpretations of functional connectivity to complement anatomical studies.
Fluorescence Sensing of Anions by Silanediols Bearing Substituted Naphthyl Groups
Authors: Abe Shiori , Kondo Shin‐ichi
Published: February 2023

Silanediols bearing naphthyl moieties substituted at 5‐position with an electron‐withdrawing cyano group and an electron‐donating N,N‐dimethylamino group, respectively, have been prepared and characterized. The substituents on the naphthyl moieties strongly influence the reactivity, photophysical properties, and sensing abilities for anions. The silanediol bearing 1‐(5‐N,N‐dimethylaminonaphthyl) groups exhibited large Stokes shifts based on intramolecular charge transfer and large quantum yields in organic solvents. The silanediol showed favorable ratiometric fluorescence responses of upon the addition of biologically important anions, AcO− and H2PO4− with the association constants of 4.08×104 and 8.76×103 mol−1 dm3, respectively.
The research progress on the anxiolytic effect of plant‐derived flavonoids by regulating neurotransmitters
Authors: Wang Chao , Yang Shanbo , Deng Junwen , Shi Lingyu , Chang Jing , Meng Jingsen , Liu Wenjing , Zeng Jun , Xing Kunyue , Wen Jialian , Liang Bing , Xing Dongming
Published: February 2023

Phytopharmaceuticals have attracted a lot of attention due to their multicomponent and multiple targets. The natural phenolic chemicals known as flavonoids are found in a wide variety of plants, fruits, vegetables, and herbs. Recently, they have been found to have modulatory effects on anxiety disorders, with current research focusing on the modulation of neurotransmitters. There has not yet been a review of the various natural flavonoid monomer compounds and total plant flavonoids that have been found to have anxiolytic effects. The study on the anti‐anxiety effects of plant‐derived flavonoids on neurotransmitters was reviewed in this paper. We, therefore, anticipate that further study on the conformational interaction underlying flavonoids’ anti‐anxiety effects will offer a theoretical framework for the creation of pertinent treatments.
Single cell sequencing of the mouse anterior palate reveals mesenchymal heterogeneity
Authors: Ozekin Yunus H. , O'Rourke Rebecca , Bates Emily Anne
Published: February 2023

Background

Cleft palate is one of the most prevalent birth defects. Mice are useful for studying palate development because of their morphological and genetic similarities to humans. In mice, palate development occurs between embryonic days (E)11.5 to 15.5. Single cell transcriptional profiles of palate cell populations have been a valuable resource for the craniofacial research community, but we lack a single cell transcriptional profile for anterior palate at E13.5, at the transition from proliferation to shelf elevation.

Results

A detailed single cell RNA sequencing analysis reveals heterogeneity in expression profiles of the cell populations of the E13.5 anterior palate. Hybridization chain reaction RNA fluorescent in situ hybridization (HCR RNA FISH) reveals epithelial populations segregate into layers. Mesenchymal populations spatially segregate into four domains. One of these mesenchymal populations expresses ligands and receptors distinct from the rest of the mesenchyme, suggesting that these cells have a unique function. RNA velocity analysis shows two terminal cell states that contribute to either the proximal or distal palatal regions emerge from a single progenitor pool.

Conclusion

This single cell resolution expression data and detailed analysis from E13.5 anterior palate provides a powerful resource for mechanistic insight into secondary palate morphogenesis for the craniofacial research community.
Atypical anorexia nervosa: Implications of clinical features and BMI cutoffs
Authors: Kim Youl‐Ri , An Zhen , Treasure Janet
Published: February 2023

Atypical anorexia nervosa (atypical AN) appears to be a heterogeneous disorder under the current diagnostic system. Though the body mass index (BMI) cutoff point of 18.5 kg/m2 is a criterion that distinguishes atypical AN from AN, the cutoff may not be universally applicable as the norms for BMI vary and can be affected by several factors, including cross‐country differences and social determinants. It is unfortunate that we do not yet have reliable or widely available criteria other than BMI for the diagnosis of atypical AN. Additional relevant markers of atypical AN are needed in future diagnostic systems.
Transition‐Metal‐Free One‐Pot [3+3] Heteroannulative Coupling of Thioamides with Epichlorohydrin: Access to Diverse 1,3‐Thiazinanes
Authors: Yadav Dhananjay , Shankar Singh Maya
Published: February 2023

An operationally simple and efficient cascade approach to access a series of 1,3‐thiazinanes has been developed through intermolecular [3+3] heteroannulative coupling employing β‐ketothioamide as a C1 N1S1 unit and epichlorohydrin as a C3 unit at room temperature for the first time. The reaction proceeds by nucleophilic attack of thiocarbonyl sulfur to less hindered primary carbon of oxirane followed by sequential intramolecular N‐cyclization and dehydrochlorination enabling the coupling by cleavage of C−O bond and formation of two new C−S and C−N bonds in one stretch. This protocol not only avoids potential toxicity and tedious work up procedures, but also features open atmosphere, good to high yields, gram‐scalability, and easy performance from inexpensive, readily available starting materials under transition‐metal‐free conditions. A probable mechanism for the formation of 1,3‐thiazinanes has been suggested.
Carbon‐based materials applied to the development of chemically modified sensors: Trends to environmental applications**
Authors: Mombach Lorenz Mayara Cristina , Silva de Almeida Leandro , de Oliveira Lopes Inacio Ana Paula , Rodrigues da Silva Júnior Flávio Manoel , Quadro Oreste Eliézer , Dias Daiane
Published: February 2023

Nowadays, carbon‐based materials applied to the development of chemically modified sensors have been highlighted once they can generate methods with high sensitivity, stability, conductivity, accuracy and low cost. Hence, these sensors have been used in environmental monitoring in aneco‐friendlyy, sensitive, fast, efficient, inexpensive and robust way. In this review, firstly we described about carbon‐based materials and their derivatives, followed by the chemically modified carbon‐based sensors manufacturing overview and their applications in environmental analytical chemistry related to inorganic and organic compounds determinations. Future perspectives on trends of the carbon‐based materials applications in the sensor modifications are also described.
Development of a voltammetric method of analysis using praseodymium oxide‐carbon nanotubes for the sensitive detection of dopamine in the presence of tramadol, paracetamol and ascorbic acid
Authors: Düzmen Şehriban , Aslanoglu Mehmet
Published: February 2023

A sensitive and selective method of analysis was constructed by the the combination of praseodymium oxide and carbon nanotubes. The charge transfer resistance (Rct) values of 109 in 1 × 10−3 M K3[Fe(CN)6] and 79 Ω in 5 × 10−6 M dopamine indicate that Pr6O11@MWCNTs/GCE enables an excellent electron pathway between electrolyte and electrode. The platform was successfully applied for the determination of dopamine in the presence of tramadol, paracetamol and ascorbic acid. The platform exhibited a remarkable decrease in ▵Ep for DA. A dynamic linear range from 1.2 × 10−9 M to 1.8 × 10−5 M was obtained with an LOD of 1.0 × 10−10 M. Such a sensitive and selective method of analysis makes Pr6O11@MWCNTs/GCE of high interest to observe trace level of DA with good accuracy and precision.
Fin structure and liquid cooling to enhance heat transfer of composite phase change materials in battery thermal management system
Authors: Xiao Jinsheng , Zhang Xu , Bénard Pierre , Yang Tianqi , Zeng Juan , Long Xi
Published: February 2023

In order to improve the performance of a battery thermal management system (BTMS) based on phase change material (PCM), expanded graphite (EG) is added to paraffin to form composite PCM (CPCM), and embedded aluminum fins are coupled with liquid cooling to enhance heat transfer. A heat generation model for lithium‐ion batteries (LIBs) is established and verified by experiments. The cooling performances of four BTMS designs were simulated. The effects of the thermal characteristics of LIBs were investigated at various velocities and directions of coolant flow as well as EG fractions in CPCMs. The simulation results indicate that Design IV shows a good cooling effect at a coolant flow rate of 0.06 m s−1 and an EG fraction of 12 wt%. Under ambient temperatures of 26°C, 35°C and 40°C, the maximum battery temperatures are 28.14°C, 37.15°C and 42.09°C, respectively, and the maximum temperature difference over the battery module is 1.88°C, 1.89°C and 1.92°C, respectively. The charge‐discharge cycle performances of the four BTMS designs were further investigated. In Design IV, the maximum temperature and the maximum temperature difference in the battery module remain unchanged during five cycles under 1, 2 and 3 C discharge rates. The new BTMS has significantly improved the secondary heat storage problem of PCMs and the temperature uniformity of LIBs. The fin structure combined with liquid cooling is efficient in enhancing the heat transfer of CPCM for battery thermal management.
Improving the Accuracy of Small‐Molecule Crystal Structures Solved from Powder X‐Ray Diffraction Data by Using External Sources
Authors: Jung Dubravka Šišak , Lukin Stipe , Halasz Ivan
Published: February 2023

Structural analysis using powder X‐ray diffraction data has overcome many obstacles and nowadays is readily applicable for structural analysis of all types of compounds and materials. Being less straightforward than single crystal diffraction, it requires significant users’ input and consequently, implementation of standardized tools to assess the accuracy of crystal structures. This article discusses potential errors in crystal structure solution and refinement of small‐molecule structures obtained from PXRD data. Moreover, it proposes how accuracy of these structures can be improved by using high‐quality PXRD data, complementary external analytical techniques, knowledge stored in crystal structure databases, as well as an approach to search the parameter space to avoid local minima in testing different sets of geometry restraints.
Dynamics of CXCR4 positive circulating tumor cells in prostate cancer patients during radiotherapy
Authors: Klusa Daria , Lohaus Fabian , Franken Andre , Baumbach Marian , Cojoc Monica , Dowling Paul , Linge Annett , Offermann Anne , Löck Steffen , Hušman Dejan , Rivandi Mahdi , Polzer Bernhard , Freytag Vera , Lange Tobias , Neubauer Hans , Kücken Michael , Perner Sven , Hölscher Tobias , Dubrovska Anna , Krause Mechthild , Kurth Ina , Baumann Michael , Peitzsch Claudia
Published: February 2023

Ablative radiotherapy is a highly efficient treatment modality for patients with metastatic prostate cancer (PCa). However, a subset of patients does not respond. Currently, this subgroup with bad prognosis cannot be identified before disease progression. We hypothesize that markers indicative of radioresistance, stemness and/or bone tropism may have a prognostic potential to identify patients profiting from metastases‐directed radiotherapy. Therefore, circulating tumor cells (CTCs) were analyzed in patients with metastatic PCa (n = 24) during radiotherapy with CellSearch, multicolor flow cytometry and imaging cytometry. Analysis of copy‐number alteration indicates a polyclonal CTC population that changes after radiotherapy. CTCs were found in 8 out of 24 patients (33.3%) and were associated with a shorter time to biochemical progression after radiotherapy. Whereas the total CTC count dropped after radiotherapy, a chemokine receptor CXCR4‐expressing subpopulation representing 28.6% of the total CTC population remained stable up to 3 months. At once, we observed higher chemokine CCL2 plasma concentrations and proinflammatory monocytes. Additional functional analyses demonstrated key roles of CXCR4 and CCL2 for cellular radiosensitivity, tumorigenicity and stem‐like potential in vitro and in vivo. Moreover, a high CXCR4 and CCL2 expression was found in bone metastasis biopsies of PCa patients. In summary, panCK+CXCR4+ CTCs may have a prognostic potential in patients with metastatic PCa treated with metastasis‐directed radiotherapy.
Hedge and safe haven role of commodities for the US and Chinese equity markets
Authors: Mujtaba Ghulam , Siddique Asima , Naifar Nader , Shahzad Syed Jawad Hussain
Published: February 2023

We examine the hedge and safe‐haven properties of four commodity classes (precious metals, energy, agriculture and livestock) for the overall and sectoral equity markets of the US and China. In doing so, we employ two quantiles‐based approaches, quantile regression and cross‐quantilogram, using daily data from 25 September 2014 to 06 July 2020. The hedging effectiveness (HE) and time‐varying conditional diversification benefits (CDB) are estimated. Our findings indicate that precious metals and agricultural commodities are weak safe havens for all equity sectors of China and the United States. In contrast, energy and livestock commodities are weak safe havens only for the information technology and healthcare sectors. Precious metals show better HE, whereas all commodities offer strong CDB. Our findings may be helpful for sectoral investors offsetting equity losses by investing in various commodity classes.
Effects of lateral depth and emitter discharge rate on pH and nitrogen distributions in the wetted‐soil volume using drip fertigation
Authors: Qiu Zhenjie , Sun Mengying , Hou Xiaoli , Tang Zhenwen , Qiu Liang
Published: February 2023

Accelerated soil acidification from excessive nitrogen fertilizer use and unreasonable irrigation has seriously increased. The advantages of saving water and fertilizer make drip irrigation feasible for reducing soil acidification. However, it is still unknown how drip irrigation influences the distribution of pH in the soil. Experiments were conducted in 30° wedge‐shaped plexiglass containers to study the transformation of nitrogen and the distribution of pH in the soil profile under subsurface drip irrigation. The apparent cylindrical water application rate varied from 4.8 to 12 L, the emitter discharge rate varied from 1.8 to 5.5 L/h, and the lateral depth ranged from 0 to 20 cm. Ten days after irrigation ended, a lateral depth of 20 cm noticeably reduced soil pH at a depth of 10–40 cm, while the pH at a shallow lateral depth decreased in the topsoil; similarly, an emitter discharge rate of 1.8 L/h significantly decreased soil pH at a depth of 0–40 cm, while the pH with a greater emitter discharge rate was slightly decreased in the topsoil. Furthermore, an increase in the application rate resulted in an increase in the area of pH decrease in the soil at 10 days after irrigation ended. Additionally, the growing nitrogen application rate significantly increased the nitrogen content in the soil profile, and the potential risk of deep‐soil pH declined. To reduce NO3‐N leaching and avoid deep‐soil acidification, a dripline depth of 10 cm with a minor irrigation level and nitrogen application rate through an emitter discharge rate of 3.2 L/h may be suggested.