Works matching DE "CHEMICAL models"

Results: 3115

Hypoxic Regulation of the KLK4 Gene in two Different Prostate Cancer Cells Treated with TGF- β.

Published in:

Cell Biochemistry & Biophysics, 2024, v. 82, n. 3, p. 2797, doi. 10.1007/s12013-024-01396-5

By:

Poyrazlı, Fatma;
Okuyan, Derya;
Köçkar, Feray;
Türkoğlu, Sümeyye Aydoğan

Publication type:

Article

Biologically Active Substance Content in Edible Plants of Zakarpattia and Their Elemental Composition Model.

Published in:

Biological Trace Element Research, 2021, v. 199, n. 6, p. 2387, doi. 10.1007/s12011-020-02345-y

By:

Meleshko, Tamara;
Rukavchuk, Roman;
Buhyna, Larysa;
Pallah, Oleksandra;
Sukharev, Sergii;
Drobnych, Volodymyr;
Boyko, Nadiya

Publication type:

Article

Mechanistic Study on the Influence of Hydrogen Fuel in High-Velocity Oxygen-Fuel (HVOF) Thermal Spraying Process.

Published in:

JOM: The Journal of The Minerals, Metals & Materials Society (TMS), 2024, v. 76, n. 1, p. 57, doi. 10.1007/s11837-023-06254-y

By:

Zhao, Xiaoyu;
Li, Chang;
Jiang, Haisheng;
Li, Siyu;
Han, Xing

Publication type:

Article

A hybrid approach for the control of axonal outgrowth: preliminary simulation results.

Published in:

Medical & Biological Engineering & Computing, 2011, v. 49, n. 2, p. 163, doi. 10.1007/s11517-010-0687-x

By:

Ciofani, Gianni;
Sergi, Pier;
Carpaneto, Jacopo;
Micera, Silvestro

Publication type:

Article

Understanding TATB (1,3,5‐triamino‐2,4,6‐trinitrobenzene) thermal decomposition.

Published in:

Propellants, Explosives, Pyrotechnics, 2024, v. 49, n. 2, p. 1, doi. 10.1002/prep.202400014

By:

Moore, Jason S.;
Morrison, Keith D.;
Burnham, Alan K.;
Racoveanu, Ana;
Reynolds, John G.;
Koroglu, Batikan;
Coffee, Keith R.

Publication type:

Article

Developing Reaction Chemistry Models from Reactive Molecular Dynamics: TATB.

Published in:: Propellants, Explosives, Pyrotechnics, 2022, v. 47, n. 8, p. 1, doi. 10.1002/prep.202100386
Publication type:: Article

A Micromechanics Pressurization Model for Cookoff.

Published in:

Propellants, Explosives, Pyrotechnics, 2022, v. 47, n. 2, p. 1, doi. 10.1002/prep.202100155

By:

Hobbs, Michael L.;
Brown, Judith A.;
Kaneshige, Michael J.;
Aviles‐Ramos, Cuauhtemoc

Publication type:

Article

Coupled Mechanical−Thermal Model for Numerical Simulations of Polymer−Bonded Explosives under Low−Velocity Impacts.

Published in:

Propellants, Explosives, Pyrotechnics, 2020, v. 45, n. 5, p. 823, doi. 10.1002/prep.201900345

By:

Xiao, Youcai;
Fan, Chenyang;
Wang, Zhijun;
Sun, Yi

Publication type:

Article

Multiscale Theory, Simulation, and Experiment in Energetic Materials: Getting Right Answers for Correct Reasons.

Published in:

Propellants, Explosives, Pyrotechnics, 2020, v. 45, n. 2, p. 168, doi. 10.1002/prep.202080231

By:

Fried, Laurence E.;
Sewell, Tommy;
Udaykumar, H. S.

Publication type:

Article

Detailed Chemical Kinetic Models for Nanothermites Combustion.

Published in:

Propellants, Explosives, Pyrotechnics, 2019, v. 44, n. 1, p. 41, doi. 10.1002/prep.201800115

By:

Catoire, Laurent

Publication type:

Article

Surrogate Modeling of Thermodynamic Equilibria: Applications, Sampling and Optimization.

Published in:

Chemie Ingenieur Technik (CIT), 2021, v. 93, n. 12, p. 1898, doi. 10.1002/cite.202100092

By:

Winz, Joschka;
Nentwich, Corina;
Engell, Sebastian

Publication type:

Article

Hybrid Semi‐parametric Modeling in Separation Processes: A Review.

Published in:

Chemie Ingenieur Technik (CIT), 2020, v. 92, n. 7, p. 842, doi. 10.1002/cite.202000025

By:

McBride, Kevin;
Sanchez Medina, Edgar Ivan;
Sundmacher, Kai

Publication type:

Article

Addressing Global Sensitivity in Chemical Kinetic Models Using Adaptive Sparse Grids.

Published in:

Chemie Ingenieur Technik (CIT), 2018, v. 90, n. 9, p. 1201, doi. 10.1002/cite.201855152

By:

Döpking, S.;
Matera, S.

Publication type:

Article

Co-pyrolysis of poly (methyl methacrylate) and sugarcane bagasse evaluated through multiple kinetic analysis methods.

Published in:

Journal of Thermal Analysis & Calorimetry, 2024, v. 149, n. 17, p. 9353, doi. 10.1007/s10973-024-13396-x

By:

Zhang, Huili;
Huang, Zhen;
Liu, Ting-ting;
Zheng, Siqi

Publication type:

Article

New hydrogen-bonded liquid crystal supramolecular systems: role of (+ I)-alkoxy substituents in promoting molecular ordering.

Published in:

Journal of Thermal Analysis & Calorimetry, 2024, v. 149, n. 14, p. 7225, doi. 10.1007/s10973-024-13254-w

By:

Sonali, M. K.;
Sinha, Rajeev K.;
Bhagavath, Poornima

Publication type:

Article

A study on the abnormal thermal behaviors of barkinite by ReaxFF molecular dynamics simulation.

Published in:

Journal of Thermal Analysis & Calorimetry, 2023, v. 148, n. 22, p. 12421, doi. 10.1007/s10973-023-12560-z

By:

Wang, Shaoqing;
Wang, Xiaoling;
Zhao, Yungang;
Lin, Yuhan

Publication type:

Article

Experimental investigations on laminar burning velocity variation of CH4 + air mixtures at elevated temperatures with CO2 and N2 dilution.

Published in:

Journal of Thermal Analysis & Calorimetry, 2023, v. 148, n. 6, p. 2517, doi. 10.1007/s10973-022-11917-0

By:

Sampath, Subhashree;
Jithin, E. V.;
Kumbhakarna, Neeraj;
Kumar, Sudarshan

Publication type:

Article

Experimental and kinetic investigations of double-effect oxygen carriers for chemical looping gasification.

Published in:

Journal of Thermal Analysis & Calorimetry, 2023, v. 148, n. 3, p. 867, doi. 10.1007/s10973-022-11781-y

By:

Wang, Kun;
Zhang, Yunwei;
Xue, Meng;
Wang, Ziyu;
Xi, Jiaze

Publication type:

Article

Physicochemical properties and thermal behavior of nitrocellulose granules with eutectic mixtures of stabilizers.

Published in:

Journal of Thermal Analysis & Calorimetry, 2022, v. 147, n. 13, p. 7421, doi. 10.1007/s10973-021-11042-4

By:

Cieślak, Katarzyna;
Gańczyk-Specjalska, Katarzyna;
Drożdżewska-Szymańska, Katarzyna;
Królikowska, Marta;
Jakubczak, Marcin

Publication type:

Article

Isoconversional analysis of kinetic pyrolysis of virgin polystyrene and its two real-world packaging wastes.

Published in:

Journal of Thermal Analysis & Calorimetry, 2022, v. 147, n. 2, p. 1421, doi. 10.1007/s10973-020-10411-9

By:

Ren, Xuan;
Huang, Zhen;
Wang, Xiao-Jie;
Guo, Gui-mei

Publication type:

Article

Coupling RSM with soot model for the study of soot formation in a momentum-dominated strained jet flames.

Published in:

Journal of Thermal Analysis & Calorimetry, 2020, v. 141, n. 6, p. 2369, doi. 10.1007/s10973-020-09649-0

By:

Mohamed Ibrahim, N. H.;
Udayakumar, M.

Publication type:

Article

Numerical investigation of flame propagation in pulse detonation engine with variation of obstacle clearance.

Published in:

Journal of Thermal Analysis & Calorimetry, 2020, v. 140, n. 5, p. 2485, doi. 10.1007/s10973-019-08948-5

By:

Alam, Noor;
Sharma, K. K.;
Pandey, K. M.

Publication type:

Article

Artificial neural network model for the evaluation of chemical kinetics in thermally induced solid-state reaction.

Published in:

Journal of Thermal Analysis & Calorimetry, 2019, v. 138, n. 1, p. 451, doi. 10.1007/s10973-019-08232-6

By:

Huang, Y. W.;
Chen, M. Q.;
Li, Q. H.

Publication type:

Article

Equivalent analysis of the explosion overpressure of gasoline vapor–air mixture by using isooctane equivalence ratio.

Published in:

Journal of Thermal Analysis & Calorimetry, 2019, v. 137, n. 5, p. 1775, doi. 10.1007/s10973-019-08100-3

By:

Zhang, Peili;
Liang, Jianjun;
Wang, Jian

Publication type:

Article

Bio, modeling and chemical routes to materials in the Journal of Materials Science.

Published in:

2024

By:

Carter, C. Barry

Publication type:

Editorial

Multiscale modeling of the shock-induced chemical reaction in Al/Ni composites.

Published in:

Journal of Materials Science, 2022, v. 57, n. 43, p. 20224, doi. 10.1007/s10853-022-07913-2

By:

Xiong, Wei;
Zhang, Xianfeng;
Chen, Haihua;
Tan, Mengting;
Liu, Chuang

Publication type:

Article

Impact of processing conditions on microstructure, texture and chemical properties of model cheese from sheep milk.

Published in:

Food & Bioproducts Processing: Transactions of the Institution of Chemical Engineers Part C, 2019, v. 116, p. 160, doi. 10.1016/j.fbp.2019.05.003

By:

Aldalur, Ane;
Ong, Lydia;
Bustamante, María Ángeles;
Gras, Sally L.;
Barron, Luis Javier R.

Publication type:

Article

CHEOPS: A tool-integration platform for chemical process modelling and simulation.

Published in:

International Journal on Software Tools for Technology Transfer, 2004, v. 6, n. 3, p. 186, doi. 10.1007/s10009-004-0157-6

By:

Schopfer, G.;
Yang, A.;
von Wedel, L.;
Marquardt, W.

Publication type:

Article

Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions.

Published in:

Molecules, 2022, v. 27, n. 3, p. 1080, doi. 10.3390/molecules27031080

By:

Yang, Chao;
Zheng, Zhaolei

Publication type:

Article

Novel Big Data-Driven Machine Learning Models for Drug Discovery Application.

Published in:

Molecules, 2022, v. 27, n. 3, p. 594, doi. 10.3390/molecules27030594

By:

Sripriya Akondi, Vishnu;
Menon, Vineetha;
Baudry, Jerome;
Whittle, Jana

Publication type:

Article

The Involvement of l-Arginine-Nitric Oxide-cGMP-ATP-Sensitive K + Channel Pathway in Antinociception of BBHC, a Novel Diarylpentanoid Analogue, in Mice Model.

Published in:

Molecules, 2021, v. 26, n. 24, p. 7431, doi. 10.3390/molecules26247431

By:

Ong, Hui Ming;
Ahmad Azmi, Ahmad Farhan;
Leong, Sze Wei;
Abas, Faridah;
Perimal, Enoch Kumar;
Farouk, Ahmad Akira Omar;
Israf, Daud Ahmad;
Sulaiman, Mohd Roslan

Publication type:

Article

Parsimonious Optimization of Multitask Neural Network Hyperparameters.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7254, doi. 10.3390/molecules26237254

By:

Valsecchi, Cecile;
Consonni, Viviana;
Todeschini, Roberto;
Orlandi, Marco Emilio;
Gosetti, Fabio;
Ballabio, Davide

Publication type:

Article

Modeling Chemical Reactivity at the Interfaces of Emulsions: Effects of Partitioning and Temperature.

Published in:

Molecules, 2021, v. 26, n. 15, p. 4703, doi. 10.3390/molecules26154703

By:

Costa, Marlene;
Paiva-Martins, Fátima;
Losada-Barreiro, Sonia;
Bravo-Díaz, Carlos

Publication type:

Article

A Critical Look at Linus Pauling's Influence on the Understanding of Chemical Bonding.

Published in:

Molecules, 2021, v. 26, n. 15, p. 4695, doi. 10.3390/molecules26154695

By:

Pan, Sudip;
Frenking, Gernot

Publication type:

Article

Water-Based Aerosol for Book Deacidification: Experimental Apparatus and Theoretical Interpretation of Results.

Published in:

Molecules, 2021, v. 26, n. 14, p. 4249, doi. 10.3390/molecules26144249

By:

Chidichimo, Giuseppe;
Crispini, Alessandra;
Tursi, Antonio;
Basile, Maria Rita;
Lania, Ilaria;
De Filpo, Giovanni;
Rossi, Cesare Oliviero;
Scarpelli, Francesca

Publication type:

Article

Plasma Modeling and Prebiotic Chemistry: A Review of the State-of-the-Art and Perspectives.

Published in:

Molecules, 2021, v. 26, n. 12, p. 3663, doi. 10.3390/molecules26123663

By:

Micca Longo, Gaia;
Vialetto, Luca;
Diomede, Paola;
Longo, Savino;
Laporta, Vincenzo

Publication type:

Article

Critical Reappraisal of Methods for Measuring Urine Saturation with Calcium Salts.

Published in:

Molecules, 2021, v. 26, n. 11, p. 3149, doi. 10.3390/molecules26113149

By:

Berto, Silvia;
Marangella, Martino;
De Stefano, Concetta;
Milea, Demetrio;
Daniele, Pier Giuseppe

Publication type:

Article

Prebiotic Route to Thymine from Formamide—A Combined Experimental–Theoretical Study.

Published in:

Molecules, 2021, v. 26, n. 8, p. 2248, doi. 10.3390/molecules26082248

By:

Petera, Lukáš;
Mrazikova, Klaudia;
Nejdl, Lukas;
Zemankova, Kristyna;
Vaculovicova, Marketa;
Pastorek, Adam;
Civis, Svatopluk;
Kubelik, Petr;
Heays, Alan;
Cassone, Giuseppe;
Sponer, Jiri;
Ferus, Martin;
Sponer, Judit

Publication type:

Article

Structure, Z′ = 2 Crystal Packing Features of 3-(2-Chlorobenzylidene)-5-(p -tolyl)furan-2(3 H)-one.

Published in:

Molecules, 2021, v. 26, n. 8, p. 2137, doi. 10.3390/molecules26082137

By:

Grinev, Vyacheslav S.;
Mayorova, Oksana A.;
Anis'kova, Tatyana V.;
Tikhomolova, Alexandra S.;
Yegorova, Alevtina Yu.

Publication type:

Article

Non-Equilibrium Thermodynamics View on Kinetics of Autocatalytic Reactions—Two Illustrative Examples.

Published in:

Molecules, 2021, v. 26, n. 3, p. 585, doi. 10.3390/molecules26030585

By:

Pekař, Miloslav;
Tomisic, Vladislav

Publication type:

Article

Construction of Molecular Model and Adsorption of Collectors on Bulianta Coal.

Published in:

Molecules, 2020, v. 25, n. 17, p. 4030, doi. 10.3390/molecules25174030

By:

Zhang, He;
Xi, Peng;
Zhuo, Qiming;
Liu, Wenli;
Alfonso-Prieto, Mercedes

Publication type:

Article

Chemical Bonding: The Journey from Miniature Hooks to Density Functional Theory.

Published in:

Molecules, 2020, v. 25, n. 11, p. 2623, doi. 10.3390/molecules25112623

By:

Constable, Edwin C.;
Housecroft, Catherine E.;
Mota, Antonio J.

Publication type:

Article

Chemical Kinetic Model of Multicomponent Gasoline Surrogate Fuel with Nitric Oxide in HCCI Combustion.

Published in:

Molecules, 2020, v. 25, n. 10, p. 2273, doi. 10.3390/molecules25102273

By:

Yang, Chao;
Zheng, Zhaolei;
Gonzalo, Gonzalo de;
Martins, Mara Guadalupe Freire

Publication type:

Article

Overlooked Scents: Chemical Profile of Soma, Volatile Emissions and Trails of the Green Tree Ant, Oecophylla smaragdina.

Published in:

Molecules, 2020, v. 25, n. 9, p. 2112, doi. 10.3390/molecules25092112

By:

Kempraj, Vivek;
Park, Soo Jean;
De Faveri, Stefano;
Taylor, Phillip W.

Publication type:

Article

Equilibrium Bond Lengths from Orbital-Free Density Functional Theory.

Published in:

Molecules, 2020, v. 25, n. 8, p. 1771, doi. 10.3390/molecules25081771

By:

Finzel, Kati;
Pendás, Ángel Martín

Publication type:

Article

Prediction Model of Aryl Hydrocarbon Receptor Activation by a Novel QSAR Approach, DeepSnap–Deep Learning.

Published in:

Molecules, 2020, v. 25, n. 6, p. 1317, doi. 10.3390/molecules25061317

By:

Matsuzaka, Yasunari;
Hosaka, Takuomi;
Ogaito, Anna;
Yoshinari, Kouichi;
Uesawa, Yoshihiro

Publication type:

Article

Chemical Speciation of Aluminum in Wine by LC–ICP–MS.

Published in:

Molecules, 2020, v. 25, n. 5, p. 1069, doi. 10.3390/molecules25051069

By:

Karaś, Katarzyna;
Zioła-Frankowska, Anetta;
Frankowski, Marcin

Publication type:

Article

Study on the Antinociceptive Activity and Mechanism of Action of Isolated Saponins from Siolmatra brasiliensis (Cogn.) Baill.

Published in:

Molecules, 2019, v. 24, n. 24, p. 4584, doi. 10.3390/molecules24244584

By:

Giorno, Thais Biondino Sardella;
Santos, Carlos Henrique Corrêa dos;
Carvalho, Mario Geraldo de;
Silva, Virgínia Cláudia da;
Sousa, Paulo Teixeira de;
Fernandes, Patricia Dias;
Boylan, Fabio;
Capasso, Raffaele;
Mannelli, Lorenzo Di Cesare

Publication type:

Article

Effect of Different Amino Acids and Heating Conditions on the Formation of 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and Its Kinetics Formation Using Chemical Model System.

Published in:

Molecules, 2019, v. 24, n. 21, p. 3828, doi. 10.3390/molecules24213828

By:

Ishak, Ainaatul Asmaa;
Selamat, Jinap;
Sulaiman, Rabiha;
Sukor, Rashidah;
Abdulmalek, Emilia;
Jambari, Nuzul Noorahya

Publication type:

Article

Oxovanadium(IV) Coordination Compounds with Kojic Acid Derivatives in Aqueous Solution.

Published in:

Molecules, 2019, v. 24, n. 20, p. 3768, doi. 10.3390/molecules24203768

By:

Berto, Silvia;
Alladio, Eugenio;
Daniele, Pier Giuseppe;
Laurenti, Enzo;
Bono, Andrea;
Sgarlata, Carmelo;
Valora, Gabriele;
Cappai, Rosita;
Lachowicz, Joanna Izabela;
Nurchi, Valeria Marina;
Pastor, Isidro M.;
Arnaud, Gautier

Publication type:

Article