bluuebunny/crossref_metadata_2025_split huggingface dataset:
Organic π‐Conjugated Molecules: From Nature to Artificial Applications. Where are the Boundaries?
Authors: Cigánek Martin , Richtár Jan , Weiter Martin , Krajčovič Jozef 
Published: October 2021

AbstractNatural or nature‐inspired molecules play a key role in many modern applications as they may imitate nature in the efficiency with which it works in a different spectrum of biological processes. One of the biggest challenges today is to make efficient use of renewable energy sources, that are lagging behind conventional technologies on a global scale. One form of this renewable energy is solar energy which can be garnered by organic photovoltaics (OPV). The golden wave of OPV can be observed with the advent of non‐fullerene acceptors (NFAs). Chemical derivatizations, low band gap, broad absorption and sufficient stability, predetermine them for the successful construction of functional devices. The review summarizes some important aspects of the use of natural and nature‐inspired materials, their design, and use for NFAs, and light power conversion efficiency. We also discuss some photocatalytic applications as a contribution to green renewable energy and solar‐fuels production.
Electrospinning of cyanoacrylate tissue adhesives for human dural repair in endonasal surgery
Authors: Campbell Brooke , Anderson Zoe , Han Daewoo , Nebor Ivanna , Forbes Jonathan , Steckl Andrew J. 
Published: October 2021

AbstractCerebral spinal fluid (CSF) leakage is a major postoperative complication requiring surgical intervention, resulting in prolonged healing and higher costs. Biocompatible polymers, such as cyanoacrylates, are currently used as tissue adhesives for closing surgical defects and incisions. Coupling these polymers with nanofiber technology shows promising results for generating nanofibers used in wound care, tissue engineering, and drug delivery. Fiber membranes formed by electrospinning of n‐octyl‐2‐cyanoacrylate (NOCA) are investigated for in situ dural closures after neurosurgery to improve the quality of the closure and prevent post‐surgical CSF leaks. Electrospun NOCA fiber membranes showed significantly higher sealing capabilities of defects in human dura, with an average burst pressure of 149 mmHg, compared with that of an FDA‐approved common dural sealant that had an average burst pressure of 37 mmHg. In this study, microfabrication of NOCA fibers demonstrates a promising technique for dural repairs.
Adaptive investigation of the optical properties of polymer fibers from mixing noisy phase shifting microinterferograms using deep learning algorithms
Authors: Abo‐Lila Gehad , Sokkar Taha , Seisa Eman , Omar Emam 
Published: October 2021

AbstractIn this article, an adaptive denoising method is suggested to accurate investigate the optical and structural features of polymeric fibers from noisy phase shifting microinterferograms. The mixed class of noise that may produce in the phase‐shifting interferometric techniques is established. To our knowledge, this is an early study considered the mixing noises that may occur in microinterferograms. The suggested method utilized the convolution neural networks to detect the noise class and then denoising, it according to its class. Four convolution neural networks (Googlenet, VGG‐19, Alexnet, and Alexnet–SVM) are refined to perform the automatic classification process for the noise class in the established data set. The network with the highest validation and testing accuracy of these networks is considered to apply the suggested method on realistic noisy microinterferograms for polymeric fibers, polypropylene and antimicrobial polyethylene terephthalate)/titanium dioxide, recoded using interference microscope. Also, the suggested method is applied on noisy microinterferograms include crazing and nanocomposite material. The demodulated phase maps and the three‐dimensional birefringence profiles are calculated for tested fibers according to the suggested method. The obtained results are compared with the published data for these fibers and found to be in good agreements.
Poor oral hygiene behavior is associated with an increased risk of gastric cancer: A population‐based case‐control study in China
Authors: Zhang Tongchao , Yang Xiaorong , Yin Xiaolin , Yuan Ziyu , Chen Hui , Jin Li , Chen Xingdong , Lu Ming , Ye Weimin 
Published: October 2021

AbstractBackgroundPoor oral health may be a significant risk factor for gastric cancer (GC); however, previous results are not consistent. Here, we investigated the effect of oral health on GC and effect modification by other factors.MethodsWe conducted a population‐based case‐control study in Taixing, China. Participants aged between 40 and 85 years and who had lived in Taixing for at least 5 years were included. The GC cases were confirmed by endoscopy and pathological diagnosis, and the controls were randomly selected using the frequency‐matching method. Unconditional logistic regression models were used to derive odds ratios (ORs) and 95% confidence intervals (CIs) of oral health for GC risk after adjusting for confounders and risk factors.ResultsOverall, 901 GC cases and 1972 controls were included. Tooth loss was not significantly associated with an increased risk of GC (yes vs. no, OR = 1.08, 95% CI 0.88 to 1.33). Compared with toothbrushing at least twice per day, toothbrushing once per day or less was associated with an increased risk of GC (OR = 2.39, 95% CI 1.94 to 2.94), and was more pronounced in esophagogastric junction cancer and intestinal‐type GC. There was no significant interaction between the indicators of oral health and age, sex, tobacco smoking, alcohol drinking, and Helicobacter pylori seropositivity.ConclusionPoor oral hygiene behavior is associated with an increased risk of GC, and this positive association is consistent across all GC subgroups classified by anatomy and histology. Further studies are needed to explore the possible mechanisms behind this association.
Rapalogs induce non‐apoptotic, autophagy‐dependent cell death in HPV‐negative TP53 mutant head and neck squamous cell carcinoma
Authors: Alam Md Maksudul , Marin Fermin Janmaris , Spiller Patrick T. , Burnett Chaning , Rong Xiaohua , Moore‐Medlin Tara , Maxwell Caden O. , Khandelwal Alok R. , Nathan Cherie‐Ann O. 
Published: October 2021

AbstractTP53 is the most frequently mutated gene in head and neck squamous cell carcinoma (HNSCC). Patients with HPV‐negative TP53 mutant HNSCC have the worst prognosis, necessitating additional agents for treatment. Since mutant p53 causes sustained activation of the PI3K/AKT/mTOR signaling pathway, we investigated the effect of rapalogs RAD001 and CCI‐779 on HPV‐negative mutTP53 HNSCC cell lines and xenografts. Rapalogs significantly reduced cell viability and colony formation. Interestingly, rapalogs‐induced autophagy with no effect on apoptosis. Pretreatment with autophagy inhibitors, 3‐methyladenine (3‐MA) and ULK‐101 rescued the cell viability by inhibiting rapalog‐induced autophagy, suggesting that both RAD001 and CCI‐779 induce non‐apoptotic autophagy‐dependent cell death (ADCD). Moreover, rapalogs upregulated the levels of ULK1 and pULK1 S555 with concomitant downregulation of the mTORC1 pathway. However, pretreatment of cells with rapalogs prevented the ULK‐101‐mediated inhibition of ULK1 to sustained autophagy, suggesting that rapalogs induce ADCD through the activation of ULK1. To further translate our in vitro studies, we investigated the effect of RAD001 in HPV‐negative mutTP53 (HN31 and FaDu) tumor cell xenograft model in nude mice. Mice treated with RAD001 exhibited a significant tumor volume reduction without induction of apoptosis, and with a concomitant increase in autophagy. Further, treatment with RAD001 was associated with a considerable increase in pULK1 S555 and ULK1 levels through the inhibition of mTORC1. 3‐MA reversed the effect of RAD001 on FaDu tumor growth suggesting that RAD001 promotes ACDC in HPV‐negative mutTP53 xenograft. This is the first report demonstrating that rapalogs promote non‐apoptotic ADCD in HPV‐negative mutTP53 HNSCC via the ULK1 pathway. Further studies are required to establish the promising role of rapalogs in preventing the regrowth of HPV‐negative mutTP53 HNSCC.
Clinical and Dopamine Transporter Imaging Trajectories in a Cohort of Parkinson's Disease Patients with GBA Mutations
Authors: Caminiti Silvia Paola , Carli Giulia , Avenali Micol , Blandini Fabio , Perani Daniela 
Published: October 2021

ABSTRACTBackgroundGlucosylceramidase (GBA) mutations are considered the most common genetic risk factors for developing Parkinson's disease (PD).ObjectivesWe aimed to assess, at different time points, the integrity of brain striatal and extra‐striatal dopamine pathways and clinical phenotype of a group of PD subjects bearing heterozygous GBA mutations (GBA‐PD), compared with a group of idiopathic PD patients (iPD) stratified by age at disease onset. A longitudinal approach was adopted to evaluate the progression over time for clinical and 123I‐FP‐CIT SPECT imaging features.MethodsWe considered 46 GBA‐PD patients and 339 iPD patients, subdivided into two groups according to age at PD onset (n = 58 < 50 years and n = 281 > 50 years). We measured differences in the occurrence/severity/progression of motor and non‐motor features, 123I‐FP‐CIT standard uptake value ratios (SUVr) in striatal and extra‐striatal regions, and global cognitive deterioration over time in a subset of 168 cases with available follow‐up.ResultsAt baseline, the GBA‐PD cohort showed more severe motor and cognitive deficits than the early‐iPD cohort. The 123I‐FP‐CIT SUVr reduction in the striatal and the extra‐striatal regions was more marked in the GBA‐PD than the early‐ and late‐iPD cohorts. Both GBA‐PD and late‐iPD patients had a significant annual deterioration in their global cognitive performance, while the early‐iPD group showed global cognitive stability over time. At follow‐up, the iPD cohorts became similar to the GBA‐PD group in 123I‐FP‐CIT SUVr reduction.ConclusionThese new findings support the hypothesis of a biological role of GBA mutations in accelerating the early neurodegenerative processes in PD, leading to the malignant clinical phenotype. © 2021 International Parkinson and Movement Disorder Society
A compact ultra‐wideband receiving antenna for monitoring applications
Authors: Zhang Ying , Chen Xin , Yao Jiaqi , Yang Jizhong , Mao Zhiming , Hua Yifeng 
Published: October 2021

AbstractIn this paper, a compact ultra‐wideband receiving antenna is proposed. It consists of a top loaded planar monopole and a circular ground plane. This design combines various techniques such as the comb shaped top loading and the integrated lumped elements to effectively reduce the antenna size, while keeping a wide bandwidth and a reasonable realized gain. The proposed antenna operates across a wide frequency range from 20 to 8 GHz (for S11 <−6 dB), occupies a compact volume of 500 × 500 × 340 mm3 (0.033λ0 × 0.033 λ0 × 0.023 λ0 at 20 MHz) and has a stable omnidirectional radiation pattern in azimuth plane from 20 to 6 GHz. Simulations and measurements are conducted to validate the antenna performance. It is demonstrated that this antenna is well suited to a variety of wideband radio frequency receivers for monitoring use.
Atlas of receptor genes expressed by the bovine morula and corresponding ligand‐related genes expressed by uterine endometrium
Authors: Sang Lei , Xiao Yao , Jiang Zongliang , Forde Niamh , Tian Xiuchun Cindy , Lonergan Patrick , Hansen Peter J. 
Published: October 2021

AbstractRegulation of the mammalian embryo involves cell‐signaling molecules produced by the maternal oviduct and endometrium. Here, datasets on the transcriptome of the gestational Days 5 and 6 bovine morula and Day 5 maternal endometrium were examined to identify receptor genes expressed by the morula and expression of the corresponding ligand‐related genes in the endometrium. A total of 175 receptor genes were identified in the morula, including 48 encoding for growth factors or WNT signaling molecules, 25 for cytokines and chemokines, 35 involved in juxtacrine and matricellular signaling and 25 encoding for receptors for small molecules. Some of the highly‐expressed pairs of endometrial ligand and embryo receptor genes included MDK and its receptors ITGB1, SDC4 and LRP2, WNT5A (RYK), VEGFA (ITGB1), GPI (AMFR), and the hedgehog proteins IHH and DHH (HHIP). The most highly expressed receptors for small molecules were GPRC5C (retinoic acid receptor), PGRMC1 (progesterone), and CHRNB2 (acetylcholine). There were also 84 genes encoding for cell signaling ligands expressed by the morula, with the most highly expressed being GPI, AIMP1, TIMP1, IK, and CCN2. The atlas of receptor and ligand genes should prove useful for understanding details of the communication between the embryo and mother that underlies optimal embryonic development.
Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off‐Nucleus Isotropic Magnetic Shielding
Authors: Al‐Yassiri Muntadar A. H. 
Published: October 2021

AbstractOff‐nucleus isotropic magnetic shielding (σiso(r)) and multi‐points nucleus independent chemical shift (NICS(0‐2 Å)) index were utilized to find the impacts of the isomerization of gas‐phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bqs) were used as local magnetic probes to evaluate σiso(r) through gauge‐including atomic orbitals (GIAO) at density functional theory (DFT) and B3LYP functional/6‐311+G(d,p) basis set level of theory. 1D σiso(r) responses along each bond of FD were examined. Also, a σiso(r) 2D‐scan was performed to obtain σiso(r) behavior at vertical heights of 0–1 Å above the FD plane in its cis, transition state (TS) and trans forms. New techniques for evaluating 2D σiso(r) cross‐sections are also included. Our findings showed that bonds in cyclic and acyclic parts of FD are dissimilar. Unlike the C−O bond of furanyl, the C=O bond of the formyl group is magnetically different. C−C and C−H bonds in furanyl are found similar to those in aromatic rings. A unique σiso(r) trend was observed for the C2−C6 bond during FD isomerization. Based on NICS(0‐2 Å) values, the degree of aromaticity follows the order of cis FD<trans FD<furan<TS FD.
Investigation on the mechanical properties and oil resistance of sulfur cured nitrile rubber/hydrogenated nitrile butadiene rubber blends
Authors: Zou Huimin , Jing Yuanrong , Tu Jieyun , Shi Xinghui , Kadlcak Jakub , Yong Zhanfu , Liu Susu , Liu Guangyong 
Published: October 2021

AbstractNitrile rubber (NBR)/hydrogenated nitrile butadiene rubber (HNBR) blends with various ratios were compounded with internal mixer and two‐roll open mill. Mechanical properties and low‐temperature performance (TR10) of the NBR/HNBR blends after aging under different conditions were investigated. Furthermore, equilibrium swelling test and moving die rheometer (MDR) test were used to systematically investigate the effects of HNBR dosage on the crosslink densities and curing behaviors. Vulcanization torque and crosslink densities decreased with an increase in HNBR content. The crosslink density of pure HNBR is higher than that of pure NBR, which is related to the macromolecular structures of the rubber. Compression sets of the NBR/HNBR vulcanizates were correlated with HNBR dosage indicating a linear relationship. Low‐temperature performance of the NBR/HNBR blends was improved after being aged in the synthetic hydrocarbon hydraulic oils (SH‐1 and SH‐2). This work shows that the low‐temperature performance and oil resistance could be better balanced by blending NBR with HNBR, while the mechanical properties maintain relatively high level.
European manufacturing capabilities for photonics
Authors: González Ana , Raspa Antonio 
Published: October 2021

AbstractSince 2016, various European pilot lines have been created to scale up the manufacture of innovative photonics components and systems, with the twin aims of achieving self‐sufficiency and enhancing European global competitiveness in the field of photonics. In this article, we take a brief look at the manufacturing capabilities set up by the European Commission to provide services for the pilot production of photonic devices to SMEs, focusing on achievements and challenges for the future.
Dynamic behavior of periodic potential system driven by cross‐correlated non‐Gaussian noise and Gaussian white noise
Authors: Guo Yongfeng , Lou Xiaojuan , Dong Qiang , Wang Linjie 
Published: October 2021

AbstractThe dynamic behavior of the periodic potential system driven by the cross‐correlated non‐Gaussian noise and Gaussian white noise is studied in this article. According to path integral method and unified color noise approximation, the periodic potential system is transformed into a stochastic equivalent Stratonovich stochastic differential equation. Then the Fokker–Planck equation and the expression of the steady‐state probability density are derived. The fourth‐order Runge–Kutta algorithm is used to calculate the times response of the system. Meanwhile, the probability density function (PDF) of the first‐passage time (FPT) is simulated, and the mean first‐passage time (MFPT) is obtained by averaging these values. Finally, the influence of noise parameters on MFPT and PDF of FPT is analyzed.
A‐Site Doped Aurivillius Layered Perovskite Thin Film (Bi4‐xDyxTi3O12) Electrode for Mercury Ions Sensor
Authors: Roselin Arockiam Amali , Karkuzhali Rajendran , PanneerDoss Issac Joseph , Anandhan Narayanasamy , Gopu Gopalakrishnan , Sivakumar Ganesan , Ganesan Karupanan Periyanan , Selvam Ramaswamy Paneer 
Published: October 2021

AbstractHeavy metals are highly polluting the environment and are considered a serious concern. As a result, early detection of these heavy metals is critical. In this research work, we focus on a new electrochemical sensor based on rare earth element (Dysprosium, Dy) modified with Aruvillius layered Perovskite (Bismuth titanate, Bi4Ti3O12, BTO) thin film electrodes with different concentrations of (0, 2 %, 4 %, 6 %)Dysprosium (Dy)was prepared using the sol‐gel spin coating method for mercury (Hg2+) ions detection.The X‐ray diffraction analysis reveals the prepared sample exhibits a polycrystalline orthorhombic structure. The highest emission peak at 575 nm is discerned in the more visible region corresponding to the transition of 4F9/2→6H3/2. In the X‐ray photoelectron spectroscopy analysis, the existence of Bi, Ti, O, and Dy is demonstrating the successful formation of prepared material. In the electrochemical section, various parameters such as pH, scan rate, and different concentrations of (Hg2+) ions were investigated. From the Cyclic Voltammetry and Electrochemical Impedance analysis, 4 % Dy doped BTO has been identified as an active electrochemical participant and has low charge transfer resistance. The stability analysis result shows the better stability of the electrode during the cycling for sensing application with a lower detection limit of 1.27 μM. It indicated that the modified 4 % Dy doped BTO thin film electrode can be explored for real‐time analysis.
Recent Investigation on Epoxidation of Styrene with Hydrogen Peroxide by Heterogeneous Catalysis
Authors: Li Xing , Wang Qingtao , Lyu Jinghui , Li Xiaonian 
Published: October 2021

AbstractSince epoxidation of styrene with H2O2 by heterogeneous catalysis can, with eco‐friendliness and high efficiency, yield original styrene oxide, which is a significant bulk and fine chemical acting as crucial intermediate in wide field including perfume, food industry, UV absorber, epoxy resins thinner, plasticizers, etc., it wins promising prospect and considerable concern. This paper has reviewed the different types of catalysts applied in styrene epoxidation with H2O2 in heterogeneous phase. They are metal nanoparticles, metal oxides nanoparticles, anchored transition metal complexes, heterogeneous polyoxometallates, anchored ionic liquid, microporous and mesoporous materials, layered double hydroxides. This paper has also summarized predecessors’ works from various aspects including preparation of catalyst, catalyst activity, physical and chemical factors relate to catalyst activity, kinetics, reaction mechanism. This paper has exhibited panoptic research situation. It can provide reference for future enhancement on the target reaction and construction of tandem reaction that combines styrene epoxidation with in situ generation of H2O2 from H2 and O2.
Synthesis of New Valinol‐Derived Sultam Triazoles as α‐Glucosidase Inhibitors
Authors: Jaffery Syeda Mehak Fatima , Khan Maria Aqeel , Ullah Saeed , Atia‐tul‐Wahab  , Choudhary Muhammad Iqbal , Basha Fatima Zehra 
Published: October 2021

Abstractα‐Glucosidase inhibition is one of the key targets for controlling diabetes. In consideration of that, new L‐valinol derived fluorinated sultam triazoles were synthesized as α‐glucosidase inhibitors, and their activities were further compared with the precursor molecules (sulfonamides, sultams, and N‐propargyl sultams). Primarily, all the synthesized sultam triazoles and precursor compounds (sulfonamides, sultams, and N‐propargyl sultams) were evaluated for different biological activities, including cytotoxicity, anti‐inflammatory, and α‐glucosidase inhibitory activities. Results revealed that only sultam triazoles exhibited inhibition against α‐glucosidase enzyme (IC50 values: 173 to 194 μM) using acarbose (IC50: 875.85 ± 2.03 μM) as the standard drug. These sultam triazoles were prepared after few steps, starting from enantiopure L‐valinol, which differ electronically (due to the position of fluorine atom and different positions on aromatic ring). Structures of all the compounds were evaluated using different spectroscopic techniques. Kinetics of active compounds were also investigated to find their mode of inhibition.
Synthesis of Chalcones as Potential α‐Glucosidase Inhibitors, In‐Vitro and In‐Silico Studies
Authors: Mukhtar Asma , Shah Shazia , Kanwal  , Khan Khalid Mohammed , Khan Shahid Ullah , Zaib Sumera , Iqbal Jamshed , Parveen Shahnaz , Taha Muhammad , Hussain Shafqat , Hameed Shahryar , Khan Naveed Ahmed , Siddiqui Ruqaiyyah , Anwar Ayaz 
Published: October 2021

Abstractα‐glucosidase inhibitors are potential antihyperglycemic agents. Seventeen chalcones derivatives (1–17) were synthesized by reactions of diversely substituted aldehydes with various ketones. The structures of compounds were characterized by using nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS) and carbon, hydrogen, nitrogen (CHN) analysis. These synthetic molecules were tested for α‐glucosidase inhibitory activity. Acarbose was used as a standard drug and positive control in this study which exhibited an IC50 of 2.91±0.02 μM. Of seventeen, nine molecules 1‐3, 5, 6, 8, and 11‐13 displayed significant inhibition with IC50 values 1.19±0.19 to 15.79±0.99 μM. Compound 6 {(E)‐3‐(3,5‐dichloro‐2‐hydroxyphenyl)‐1‐(p‐tolyl)prop‐2‐en‐1‐one} with hydroxy and chloro substitutions was found to be the most active compound and a novel compound of this library with IC50=1.19±0.19 μM. Active molecules were subjected to in silico study to determine binding interactions with target site of α‐glucosidase.