bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractWe 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

AbstractA 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

AbstractThe 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

AbstractSilanediols 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

AbstractPhytopharmaceuticals 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

AbstractBackgroundCleft 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.ResultsA 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.ConclusionThis 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

AbstractAtypical 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

AbstractAn 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

AbstractNowadays, 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

AbstractA 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

AbstractIn 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

AbstractStructural 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

AbstractAblative 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

AbstractWe 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

AbstractAccelerated 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.
Fabrication and characterization of porous tissue‐mimicking optical phantoms as a tool for optical sensor validation
Authors: Joseph Manju , Van Hileghem Lorenz , Postelmans Annelies , Lammertyn Jeroen , Saeys Wouter 
Published: February 2023

AbstractThis paper presents porous polydimethylsiloxane (PDMS) optical phantoms with tunable microstructural and optical properties to mimic porous biological tissues (e.g., fruit) during the design and optimization of novel optical setups. A well connected salt network formed using salt particles of various size distributions was used to obtain porous PDMS phantoms of different porous features including porosity, pore size distribution, pore number density and pore connectivity. These microstructural features are strongly related to the light scattering from the phantom where a higher reduced scattering coefficient () was observed from the porous PDMS phantom with a higher number of small pores compared to the optical phantom with a lower number of larger pores. The prepared phantoms were used to validate GASMAS (gas in scattering media absorption spectroscopy) H2O and O2 sensors by quantifying the optical path length through the pores and the O2 concentration inside the pores.
Inhibition of VEGFR‐2 by SU5416 increases neonatally glutamate‐induced neuronal damage in the cerebral motor cortex and hippocampus
Authors: Castañeda‐Cabral José Luis , Orozco‐Suárez Sandra A. , Beas‐Zárate Carlos , Fajardo‐Fregoso Blanca F. , Flores‐Soto Mario E. , Ureña‐Guerrero Mónica E. 
Published: February 2023

AbstractVascular endothelial growth factor (VEGF) exerts neuroprotective or proinflammatory effects, depending on what VEGF forms (A–E), receptor types (VEGFR1–3), and intracellular signaling pathways are involved. Neonatal monosodium glutamate (MSG) treatment triggers neuronal death by excitotoxicity, which is commonly involved in different neurological disorders, including neurodegenerative diseases. This study was designed to evaluate the effects of VEGFR‐2 inhibition on neuronal damage triggered by excitotoxicity in the cerebral motor cortex (CMC) and hippocampus (Hp) after neonatal MSG treatment. MSG was administered at a dose of 4 g/kg of body weight (b.w.) subcutaneously on postnatal days (PD) 1, 3, 5, and 7, whereas the VEGFR‐2 inhibitor SU5416 was administered at a dose of 10 mg/kg b.w. subcutaneously on PD 5 and 7, 30 min before the MSG treatment. Neuronal damage was assessed using hematoxylin and eosin staining, fluoro‐Jade staining, and TUNEL assay. Additionally, western blot assays for some proteins of the VEGF‐A/VEGFR‐2 signaling pathway (VEGF‐A, VEGFR‐2, PI3K, Akt, and iNOS) were carried out. All assays were performed on PD 6, 8, 10, and 14. Inhibition of VEGFR‐2 signaling by SU5416 increases the neuronal damage induced by neonatal MSG treatment in both the CMC and Hp. Moreover, neonatal MSG treatment increased the expression levels of the studied VEGF‐A/VEGFR‐2 signaling pathway proteins, particularly in the CMC. We conclude that VEGF‐A/VEGFR‐2 signaling pathway activation could be part of the neuroprotective mechanisms that attempt to compensate for neuronal damage induced by neonatal MSG treatment and possibly also in other conditions involving excitotoxicity.