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High-throughput computational screening and in vitro evaluation identifies 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione(C3),as a novel EGFR—HER2 dual inhibitor in gastric tumors

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Oncology Research 2024年第2期32卷 251-259页

作者： MESFER AL SHAHRANI REEM GAHTANI MOHAMMAD ABOHASSAN MOHAMMAD ALSHAHRANI YASSER ALRAEY ayed dera MOHAMMAD RAJEH ASIRI PRASANNA RAJAGOPALAN Department of Clinical Laboratory Sciences College of Applied Medical SciencesKing Khalid UniversityAbhaSaudi Arabia

Gastric cancers are caused primarily due to the activation and amplification of the EGFR or HER2 kinases resulting in cell proliferation,adhesion,angiogenesis,and *** therapies are ineffective due to the intra-tumoral heterogeneity and concomitant genetic ***,dual inhibition strategies are recommended to increase potency and reduce *** this study,we have conducted computational high-throughput screening of the ChemBridge library followed by in vitro assays and identified novel selective inhibitors that have a dual impediment of EGFR/HER2 kinase ***-based High-throughput Virtual Screening(D-HTVS)was used to screen the whole ChemBridge small molecular library against EGFR and *** atomistic molecular dynamic simulation was conducted to understand the dynamics and stability of the protein-ligand ***/HER2 kinase enzymes,KATOIII,and Snu-5 cells were used for in vitro *** atomistic Molecular Dynamics simulations followed by solvent-based Gibbs binding free energy calculation of top molecules,identified compound C3(5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione)to have a good affinity for both EGFR and *** predicted compound,C3,was promising with better binding energy,good binding pose,and optimum interactions with the EGFR and HER2 residues.C3 inhibited EGFR and HER2 kinases with IC50 values of 37.24 and 45.83 nM,*** GI50 values of C3 to inhibit KATOIII and Snu-5 cells were 84.76 and 48.26 nM,*** on these findings,we conclude that the identified compound C3 showed a conceivable dual inhibitory activity on EGFR/HER2 kinase,and therefore can be considered as a plausible lead-like molecule for treating gastric cancers with minimal side effects,though testing in higher models with pharmacokinetic approach is required.

关键词： Dual inhibitor Drug discovery EGFR/HER2 kinase Gastric cancer High-throughput screening

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Persuasive Technology for the Future of Smoking Cessation^*

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Advances in Internet of Things 2024年第2期14卷 36-52页

作者： Fatimah dera M. Alshahrani College of Computer Science King Khalid University (KKU) Abha KSA

This paper explores the integration of persuasive technology into smoking cessation efforts through the development and evaluation of a mobile app, “No-Smoke.” Leveraging compelling features like social support, tracking, planning, and motivation, the app aims to augment user engagement and support the process of quitting smoking. The efficacy of these features has been substantiated through both automated testing and user feedback, highlighting their potential to enhance awareness, motivation, and behavior modification. Despite notable successes, limitations, including a limited user base and uncertainties regarding long-term efficacy, have been acknowledged, stemming from the inherent complexities of smoking cessation. Nevertheless, based on user experiences and feedback, “No-Smoke” represents a promising advancement in the use of technology for public health interventions, particularly in the realm of smoking cessation. To address existing challenges, future research is recommended to encompass a comprehensive, long-term study involving a larger and more diverse user base. Additionally, further investigation should focus on personalization enhancements and the integration of machine learning algorithms to better understand and respond to user behavior.

关键词： Persuasive Technology Smoking Cessation Mobile App

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Recent Advances in High Pressure and Temperature Rheological Studies

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Journal of Earth Science 2010年第5期21卷 495-516页

作者： Nadege Hilairet Przemyslaw dera Center for Advanced Radiation Sources The University of Chicago 5640 South Ellis Avenue Chicago Illinois 60637 USA

Rheological studies at high pressure and temperature using in-situ X-ray diffraction and imaging have made significant progresses in recent years, thanks to a combination of recent developments in several areas：（1） advances in synchrotron X-ray techniques, （2） advances in deformation devices and the abilities to control pressure, temperature, stress, strain and strain rates, （3） theoretical and computational advances in stress determination based on powder and single crystal diffraction, （4） theoretical and computational advances in modeling of grain-level micromcchanics based on elasto-plastic and visco-plastic self-consistent formulations. In this article, we briefly introduce the experimental techniques and theoretical background for in-situ high pressure, high temperature rheological studies, and then review recent studies of rheological properties of major mantle materials. Some currently encountered issues have prompted developments in single-crystal quasi-Laue diffraction for complete stress tensor determination and textural evolution of poly-phased composites based on X-ray microtomography. Future prospects are discussed.

关键词： rheology deformation composite synchrotron radiation high pressure and high temperature diffraction tomography.

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SCALAR CURVATURE TYPE PROBLEM ON THE THREE DIMENSIONAL BOUNDED DOMAIN

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Acta Mathematica Scientia 2017年第1期37卷 139-173页

作者： Mohamed BEN ayed Habib FOURTI Faculte des Sciences Universite de SfaxRoute SoukraSfaxTunisie Institut Preparatoire Aux Etudes d'Ingenieurs Universite de SfaxSfaxTunisie

In this paper we prove an existence result for the nonlinear elliptic problem：-△u = Ku5,u 〉 0 in Ω,u = 0 on Ω,where Ω is a smooth bounded domain of R3 and K is a positive function in Ω.Our method relies on stud... 详细信息

关键词： scalar-curvature critical point limiting Sobolev exponent variational prob-lems with lack of compactness blow up analysis

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Covalent triazine framework with efficient photocatalytic activity in aqueous and solid media

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Frontiers of Chemical Science and Engineering 2020年第3期14卷 397-404页

作者： Cyrine ayed Wei Huang Kai A.I.Zhang Max Planck Institute for Polymer Research 55128 MainzGermany Graduate School for Excellence Materials Science in Mainz Johannes Gutenberg University Mainz55128 MainzGermany

Covalent triazine frameworks(CTFs)have been recently employed for visible light-driven photocatalysis due to their unique optical and electronic ***,the usually highly hydrophobic nature of CTFs,which originates from their overall aromatic backbone,leads to limitations of CTFs for applications in aqueous *** this study,we aim to extend the range of the application media of CTFs and design hybrid material of a CTF and mesoporous silica(SBA-15)for efficient photocatalysis in aqueous medium.A thiophene-containing CTF was directly synthesized in mesopores of *** to the high surface area and the added hydrophilic properties by silica,the hybrid material demonstrated excellent adsorption of organic molecules in *** leads not only to high photocatalytic performance of the hybrid material for the degradation of organic dyes in water,but also for efficient photocatalysis in solvent-free and solid ***,the reusability,stability and easy recovery of the hybrid material offers promising metal-free heterogeneous photocatalyst for broader applications in different reaction media.

关键词： photocatalysis covalent triazine framework aqueous medium SBA-15 solid state

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Partnership for eXtreme Xtallography (PX^(2))—A state-of-the-art experimental facility for extreme-conditions crystallography: A case study of pressure-induced phase transition in natural ilvaite

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Matter and Radiation at Extremes 2022年第2期7卷 62-71页

作者： Jingui Xu Dongzhou Zhang Sergey N.Tkachev Przemyslaw K.dera School of Ocean and Earth Science and Technology Hawai’i Institute of Geophysics and PlanetologyUniversity of Hawai’i at ManoaHonoluluHawaii 96822USA Center for Advanced Radiation Sources University of ChicagoChicagoIllinois 60437USA

Single-crystal x-ray diffraction(SCXRD)is an important tool to study the crystal structure and phase transitions of crystalline materials at elevated *** Partnership for eXtreme Xtallography(PX^(2))program at the GSECARS 13-BM-C beamline of the Advanced Photon Source aims to provide state-of-the-art experimental capabilities to determine the crystal structures of materials under extreme conditions using ***^(2) provides a focused x-ray beam(12318μm^(2))at a monochromatic energy of 28.6 ***-pressure SCXRD experiments are performed with a six-circle diffractometer and a Pilatus3 photon-counting detector,facilitated by a membrane system for remote pressure control and an online ruby fluorescence system for pressure *** efficient,high-quality crystal structure determination at PX^(2) is exemplified by a study of pressure-induced phase transitions in natural ilvaite[CaFe^(2+)_(2 )Fe^(3+)Si_(2)O_(7)O(OH),P2_(1)/a space group].Two phase transitions are observed at high *** SCXRD data confirm the already-known ilvaite-I(P2_(1)/a)→ilvaite-II(Pnam)transformation at 0.4(1)GPa,and,a further phase transition is found to occur at 22.8(2)GPa where ilvaite-II transforms into ilvaite-III(P2_(1)/a).The crystal structure of the ilvaite-III is solved and refined in the P2_(1)/a space *** addition to the ilvaite-I→ilvaite-II→ilvaite-III phase transitions,two minor structural modifications are observed as discontinuities in the evolution of the FeO6 polyhedral geometries with pressure,which are likely associated with magnetic transitions.

关键词： phase extreme transitions

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Inverse Length Biased Maxwell Distribution:Statistical Inference with an Application

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Computer Systems Science & Engineering 2021年第10期39卷 147-164页

作者： Amer Ibrahim Al-Omari ayed R.A.Alanzi Department of Mathematics Faculty of ScienceAl al-Bayt UniversityMafraqJordan Department of Mathematics College of Science and Human Studies at Hotat SudairMajmaah UniversityMajmaah 11952Saudi Arabia

In this paper,we suggested and studied the inverse length biased Maxell distribution(ILBMD)as a new continuous distribution of one *** ILBMD is obtained by considering the inverse transformation technique of the Maxwell length biased *** characteristics of the ILBMD such as the moments,moment generating function,mode,quantile function,the coefficient of variation,coefficient of skewness,Moors and Bowley measures of kurtosis and skewness,stochastic ordering,stress-strength reliability,and mean deviations are *** addition,the Bonferroni and Lorenz curves,Gini index,the reliability function,the hazard rate function,the reverse hazard rate function,the odds function,and the distributions of order statistics for the ILBMD,are *** ILBMD parameter is estimated using the maximum likelihood method,the method of moments,the maximum product of spacing technique,the ordinary and weight least square procedures,and the Cramer-Von-Mises *** Fishers information,as well as the Rényi and q-entropies,are *** investigate the usefulness of the proposed lifetime distribution and to illustrate the purpose of the study,a real dataset of the relief times of 20 patients receiving an analgesic is used.

关键词： Maxell distribution inverse length biased Maxwell distribution Fisher’s information methods of estimation goodness of fit tests

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Effect of Water Quality on Heavy Metal Redistribution and Mobility in Polluted Agricultural Soils in a Semi-Arid Region

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Pedosphere 2019年第6期29卷 730-739页

作者： Rim AZOUZI Abdelkrim CHAREF Lamia ayed Samia KHADHAR Laboratoire Géoressources Centre des Recherches et Technologies des EauxSoliman 8020(Tunisia) Laboratoire d’Analyse Traitement et Valorisation des Polluants de l’Environnement et des ProduitsFacultéde PharmacieRue AvicenneMonastir 5000(Tunisia)

Mornag Plain is a coastal area of the Mediterranean basin, which has undergone an agricultural industrial boom. The aim of this study was to investigate the different water qualities used for irrigation on heavy metal mobility in these polluted agricultural soils. The geo-accumulation indices for heavy metals (Ni, Cr, Pb, Cd, Cu, and Zn) revealed that industrial activities and used treated wastewater (TWW) contributed to soil pollution, and water irrigation always decreased this contamination. After long-term use of different water types, high perturbation of heavy metal redistribution has occurred. Groundwater use altered all heavy metal redistributions in the irrigated soil among various soil-solid and soil-solution fractions, as compared to the unirrigated soil. Slight acid water use transferred some metals from different solid phase components into water-soluble and exchangeable fractions. However, TWW use transformed some Ni, Cr, Cd, Cu, and Zn from water-soluble and exchangeable fractions to less labile fractions, particularly into organically bound fractions. Reuse of conventional water within the same soil decreased the whole soil redistribution index values, indicating tendency to return to the pattern of distribution of groundwater-irrigated soil.

关键词： Exchangeable fraction Geo-accumulation index Labile fraction Mobility factor Organically bound fraction Redistribution index Treated wastewater Water-soluble fraction

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Persistent effect of nurse-led education on self-care behavior and disease knowledge in heart failure patients

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International Journal of Nursing Sciences 2021年第2期8卷 161-167,I0002页

作者： Astrid Huesken Rainer Hoffmann Sofien ayed Department of Cardiology Angiology and Sleep MedicineBonifatius Hospital LingenLingenGermany

Purpose:The guidelines on the management of patients with heart failure support intensive patient education on *** present study aimed to evaluate the short-term and long-term impacts of a structured education provided by a qualified heart failure nurse on patients'self-care behavior and disease ***:One hundred fifty patients(66±12 years)hospitalized for heart failure participated in a structured one-hour educational session by a heart failure *** completed a questionnaire comprising 15 questions(nine questions from the European Heart Failure Self-Care Behavior Scale[EHFScB-9]and six on the patients'disease knowledge)one day before and one day and six months after the educational *** responses for each question ranged from 1(complete agreement)to 5(complete disagreement).Results:After the educational session,the total EHFScB-9 score improved from 24.31±6.98 to 14.94±6.22,and the disease knowledge score improved from 18.03±5.44 to 10.74±4.30(both P<0.001).Scores for individual questions ranged from 1.26±0.81(adherence to the medication protocol)to 3.66±1.58(everyday weighing habits)before the *** greatest improvement after education was observed on response to weight gain(-2.00±1.57),daily weight control(—1.77±1.64),and knowledge on the cause of patients'heart failure(-1.53±1.43).At 6-month follow-up,EHFScB-9 score was 17.33±7.23 and knowledge score was 12.34±5.30(both P<0.001 compared with baseline).No factor was predictive of an insufficient teaching ***:The educational program led by a qualified nurse improves patients'self-care behavior and disease knowledge with a persistent effect at 6-month *** are no patient characteristics which preclude the implementation of an educational session.

关键词： Heart failure Knowledge Patient education Self care

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Effect of cooking processes on tilapia aroma and potential umami perception

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Food Science and Human Wellness 2023年第1期12卷 35-44页

作者： Danni Zhang Charfedinne ayed Ian D.Fisk Yuan Liu Department of Food Science&Technology School of Agriculture&BiologyShanghai Jiao Tong UniversityShanghai 200240China Division of Food Nutrition and DieteticsSchool of BiosciencesUniversity of NottinghamSutton Bonington CampusLoughborough LE125RDUK University of Adelaide North TerraceAdelaide 5005Australia

Tilapia is a freshwater fish group with a sustainable prospect but suffers off-notes appearing during cooking *** promote pleasant odorants by thermal cooking processes,tilapia fillets were cooked in different ways(roasting,microwave-heating,boiling and steaming).Their aroma profiles were analysed with special focus on off-notes and umami-enhancing odorants by principal component analysis,and correlated with the heating time,colour,moisture and water activity by partial least squares regression *** showed that the“green”and“earthy”off-notes were highly correlated with the boiling process(excess of water,short heating time),while most of the umami-enhancing odorants had a high association with the roasting process(low water content,long heating time,better Maillard reaction).This study indicated that roasting is the most adapted cooking process promoting Maillard-derived aromas,umami-enhancing aromas and meanwhile,reducing *** research helps in understanding the off-note generation in tilapia and promoting desirable umami-enhancing odorants.

关键词： Tilapia Thermal cooking process Aroma Off-note Umami

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