Works matching DE "BINDING energy"

Results: 5000

Chemical Composition and Biological Activity of Vietnamese Vernonia amygdalina Essential Oil: In Vitro and In Silico Studies.

Published in:

Tropical Journal of Natural Product Research, 2025, v. 9, n. 5, p. 2263, doi. 10.26538/tjnpr/v9i5.54

By:

Ngu, Truong N.;
Dam, Thi B. H.;
Nguyen, Duy T.;
Do, Van H.;
Bui, Lan A.;
Truong, Hieu P. C.;
Tran, Manh H.;
Nguyen, Phi H.;
Huong, Nguyen T. M.;
To, Dao C.

Publication type:

Article

Immunoenhancement Function of the Novel Hexapeptide (LVVLGH) from Thick-Shelled Mussel (Mytilus coruscus) on Immunodeficient Mice by Activating the NF-κB/MAPK Pathway.

Published in:

Foods, 2025, v. 14, n. 11, p. 1865, doi. 10.3390/foods14111865

By:

Yang, Xu;
Zeng, Yu;
Que, Fandi;
Fu, Shiqing;
Xu, Li;
Yu, Fangmiao;
Wang, Bin

Publication type:

Article

Simulation of Aging and Bonding Properties of the Matrix/Filler Interface in Particle-Reinforced Composites.

Published in:

Polymers (20734360), 2025, v. 17, n. 11, p. 1557, doi. 10.3390/polym17111557

By:

Chen, Zebin;
Wang, Xueren;
Zou, Zijie;
Qiang, Hongfu;
Fu, Xiao

Publication type:

Article

Utilising UPLC-QTOF-MS/MS to determine the phytochemical profile and in vitro cytotoxic potential of Ziziphora capitata L. with molecular docking simulation.

Published in:

Natural Product Research, 2025, v. 39, n. 12, p. 3417, doi. 10.1080/14786419.2024.2335666

By:

Youssif, Youssif M.;
Elhagali, Gameel A. M.;
Zahran, Medhat A.;
Ahmed, Fatma A.;
Ragab, Ahmed

Publication type:

Article

Identification of potential antiviral compounds from Egyptian sea stars against MERS-CoV with the in vitro and in silico experiments.

Published in:

Natural Product Research, 2025, v. 39, n. 12, p. 3410, doi. 10.1080/14786419.2024.2335361

By:

Okasha, Nadia I.;
Abdel-Rahman, Mohamed A.;
Nafie, Mohamed S.;
Abo Shama, Noura M.;
Mahmoud, Sara H.;
El-Ebeedy, Dalia A.;
Abdel Azeiz, Ahmed Z.

Publication type:

Article

Antimicrobial phytoconstituents from Azadirachta indica (neem) with potential inhibitor against FtsZ protein of Pseudomonas aeruginosa.

Published in:

Natural Product Research, 2025, v. 39, n. 12, p. 3575, doi. 10.1080/14786419.2024.2332946

By:

Orozco-Ugarriza, Mauricio E.;
Arrieta Caldera, Nicole Paola;
Olivo-Martínez, Yenifer

Publication type:

Article

Physical Properties of Doped Silicene Anodes for Na-Ion Battery: A First-Principles Study.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 7, p. 5213, doi. 10.1007/s11664-025-11950-3

By:

Zhou, Wentao;
Shui, Shuaiyi;
Song, Jia;
Li, Hongru;
Zhang, Xinyu;
Guo, Shaoqiang

Publication type:

Article

Alkali/alkaline earth metal-doped 2D carbonaceous materials for ultra-high CO2 capture and separation.

Published in:

Journal of Materials Science, 2025, v. 60, n. 22, p. 9163, doi. 10.1007/s10853-025-10997-1

By:

Han, Ziyi;
Qiao, Tiantian;
Pan, Hongyu;
Zhang, Zishuo;
Zhou, Sainan;
Lu, Xiaoqing;
Li, Yongqing

Publication type:

Article

Novel benzimidazole-1, 3, 4-thiadiazole derivatives as casein kinase-2 inhibitors: synthesis, in vitro and in silico investigations.

Published in:

BMC Chemistry, 2025, v. 19, n. 1, p. 1, doi. 10.1186/s13065-025-01532-z

By:

Senthilkumar, N.;
Sarveswari, S.;
Choudhari, Prafulla;
Chaudhari, Somdatta;
Islam, Imadul;
Tamboli, Yasinalli;
Vijayakumar, V.

Publication type:

Article

Chiral substrate-induced chiral covalent organic framework membranes for enantioselective separation of macromolecular drug.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-60572-0

By:

Gao, Xiaoyue;
Ben, Teng

Publication type:

Article

Comparison of Some Soil Mineral’s Ability to Adsorb and Release Lead and Rates of its Removal From its Aqueous Solutions.

Published in:

Natural & Engineering Sciences, 2025, v. 10, n. 1, p. 403, doi. 10.28978/nesciences.1651183

By:

Naser, Kadhim Makki;
Dadoosh, Awatif Hameed;
Ali Alkhalil, Shireen Mudhafar

Publication type:

Article

基于网络药理和动物试验的肥猪散防治母猪气虚血亏作用机制研究.

Published in:

Journal of Henan Agricultural Sciences, 2025, v. 54, n. 4, p. 117, doi. 10.15933/j.cnki.1004-3268.2025.04.012

By:

高甜甜;
刘雪松;
刘永醍;
裘宗盛;
刘钇杉;
李淑欣;
戚晶晶;
李亚楠;
魏成威;
马天文

Publication type:

Article

Strategic Identification of Anti-Cancer Compounds Targeting PARP15 in DNA Repair Pathways for Enhanced Therapeutic Efficacy.

Published in:

Polycyclic Aromatic Compounds, 2025, v. 45, n. 4, p. 580, doi. 10.1080/10406638.2024.2413032

By:

Sharma, Pradeep;
Sharma, Sujata;
Alam, Aftab;
Alqarni, Mohammed H.;
Bhardwaj, Rima;
Singh, Indrakant K.

Publication type:

Article

Comprehensive Analysis of the Active Components and Mechanisms of Panax notoginseng in Steroid-associated Necrosis of Femoral Head Using UHPLC-QE-MS, Network Pharmacology, and Molecular Dynamics Simulations.

Published in:

Natural Product Communications, 2025, v. 20, n. 5, p. 1, doi. 10.1177/1934578X251340455

By:

Han, Jie;
Shang, Kebin;
Peng, Qinglin;
Wu, Yu kun;
Wu, Yachao;
Nong, Bin

Publication type:

Article

Exploring the therapeutic effect of melatonin targeting common biomarkers in testicular germ cell tumor, prostate adenocarcinoma, and male infertility: an integrated biology approach.

Published in:

Mammalian Genome, 2025, v. 36, n. 2, p. 614, doi. 10.1007/s00335-025-10119-x

By:

Wanjari, Uddesh Ramesh;
Gopalakrishnan, Abilash Valsala

Publication type:

Article

Multiple integrated computational approach to analyse wound healing potential of Symplocos racemosa bark as Matrix metalloproteinase inhibitors.

Published in:

Natural Product Research, 2025, v. 39, n. 11, p. 3043, doi. 10.1080/14786419.2024.2321488

By:

Rafey, Hafiz Abdul;
Amin, Adnan;
Ross, Samir Anis;
El-Shazly, Mohamed;
Zahid, Muhammad Ammar;
Niaz, Shah Iram;
Ul Mahmood, Fakhar;
Ullah, Hammad

Publication type:

Article

Utilization of an Amide-Based Collector in Fluorite Flotation.

Published in:

Processes, 2025, v. 13, n. 5, p. 1609, doi. 10.3390/pr13051609

By:

Liu, Peng;
Tian, Yuhui;
Zhang, Chun;
Tian, Mengjie;
Sun, Wei

Publication type:

Article

A Complete Energy Model for Graphene Flake Growth with the Fewest Possible Dangling Bonds.

Published in:

Nanomaterials (2079-4991), 2025, v. 15, n. 10, p. 723, doi. 10.3390/nano15100723

By:

Grozev, Ivan G.;
Kalchevski, Dobromir A.;
Trifonov, Dimitar V.;
Kolev, Stefan K.;
Aleksandrov, Hristiyan A.;
Popov, Valentin N.;
Milenov, Teodor I.

Publication type:

Article

Investigation of a Novel Depressant for Flotation Separation of Chalcopyrite and Galena: Experiments and Adsorption Mechanisms.

Published in:

Minerals (2075-163X), 2025, v. 15, n. 5, p. 454, doi. 10.3390/min15050454

By:

Zeng, Hong;
Liu, Chongjun;
Lu, Tong;
Gao, Zehui;
Zhu, Yangge;
Sun, Chuanyao;
Zhao, Zhiqiang;
Wu, Guiye;
Li, Ruidong;
Hu, Jun

Publication type:

Article

Organotellurium (IV) Complexes as Potent Antimalarial and Antimicrobial Agents: Synthesis, Biological Evaluation, and Computational Insights.

Published in:

Applied Organometallic Chemistry, 2025, v. 39, n. 6, p. 1, doi. 10.1002/aoc.70206

By:

Bhardwaj, Anisha;
Dubey, Amit;
Ragusa, Andrea;
Alam, Perwez;
Garg, Sapana;
Bendi, Anjaneyulu

Publication type:

Article

Emergent 2D van der Waals materials photonic sources.

Published in:

Nanophotonics (21928606), 2025, v. 14, n. 10, p. 1475, doi. 10.1515/nanoph-2024-0702

By:

Tang, Kwok Kwan;
Li, Chun;
Zhu, Changhai;
Li, Peipei;
Zhao, Liyun;
Zhang, Qing

Publication type:

Article

Discovery and Functional Validation of EP3 Receptor Ligands with Therapeutic Potential in Cardiovascular Disease.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 10, p. 4879, doi. 10.3390/ijms26104879

By:

Alonso-Fernández, Jorge-Ricardo;
Montoro-García, Silvia;
Cruz, Andreia-Filipa;
Ponce-Valencia, Alicia;
Carmena-Bargueño, Miguel;
Pérez-Sánchez, Horacio

Publication type:

Article

Inside Back Cover: Hydrogen Binding Energy Is Insufficient for Describing Hydrogen Evolution on Single‐Atom Catalysts (Angew. Chem. 23/2025).

Published in:

Angewandte Chemie, 2025, v. 137, n. 23, p. 1, doi. 10.1002/ange.202509579

By:

Ye, Songbo;
Liu, Fangzhou;
She, Fangxin;
Chen, Jiaxiang;
Zhang, Di;
Kumatani, Akichika;
Shiku, Hitoshi;
Wei, Li;
Li, Hao

Publication type:

Article

P5+‐ Enhanced Novel Samarium Niobate Ultralow‐Loss Microwave Ceramics as Dielectric Resonator for X‐Band Antenna Applications.

Published in:

Advanced Functional Materials, 2025, v. 35, n. 22, p. 1, doi. 10.1002/adfm.202421225

By:

Wu, Fang‐Fang;
Sun, Ruixin;
Du, Chao;
Xu, Diming;
Jin, Biao‐Bing;
Li, Chun;
Jantunen, Heli;
Zhou, Di

Publication type:

Article

Structural and Optical Properties of Defected and Exotic Calcium Monochalcogenide Nanoparticles: Insights from DFT and TD-DFT Calculations.

Published in:

Crystals (2073-4352), 2025, v. 15, n. 5, p. 392, doi. 10.3390/cryst15050392

By:

Moustris, Panagiotis G.;
Chronis, Alexandros G.;
Michos, Fotios I.;
Aravantinos-Zafiris, Nikos;
Sigalas, Mihail M.

Publication type:

Article

First-Principles Investigation of the Structural, Magnetic, and Electronic Properties of Janus MXene Material CrScCO 2.

Published in:

Coatings (2079-6412), 2025, v. 15, n. 5, p. 580, doi. 10.3390/coatings15050580

By:

Huang, Haishen;
Liu, Xiaoying;
Sun, Li;
Shang, Zhenzhen;
Zhou, Tingyan;
Li, Ping;
Wu, Bo

Publication type:

Article

Glutamate receptor ion channels: where do all the calories go?

Published in:

2011

By:

Mayer, Mark L.

Publication type:

Opinion

SYMMETRY ASPECTS OF FISSION FRAGMENT MASS DISTRIBUTION IN 238U(18O,F) REACTION.

Published in:

Revista Cubana de Física, 2020, v. 37, n. 1, p. 44

By:

GUPTA, R.

Publication type:

Article

EL UMBRAL DE INESTABILIDAD ANIÓNICA EN ÁTOMOS.

Published in:

Revista Cubana de Física, 2016, v. 33, n. 2, p. 77

By:

LEóN VAlIDO, DARIO A.;
GIL, GABRIEL;
GONZÁLEZBY, AUGUSTO

Publication type:

Article

BUTYRIC ACID INTERACTION WITH CARBON NANOTUBES: MODELING BY A SEMI-EMPIRICAL APPROACH.

Published in:

Revista Cubana de Física, 2013, v. 30, n. 2, p. 72

By:

AL-ANBER, M. J.

Publication type:

Article

Insights into the Effects of Co-doping on the Electronic Properties of Armchair Graphene Nanoribbon-based NO2 Gas Sensors.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 1, p. 300, doi. 10.1007/s11664-024-11539-2

By:

Solanki, Kamal;
Kesharwani, Prachi;
Majumder, Manoj Kumar

Publication type:

Article

First-Principles Study of Monolayer GeTe and the Effect of External Strain and Electric Field.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 1, p. 718, doi. 10.1007/s11664-024-11530-x

By:

Zhuang, Qinqin;
Chen, Haonan;
Xiong, Feibing

Publication type:

Article

Defect Engineering in Diamond-Based Semiconductors: Exploring the Role of Lithium Vacancy Defects.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 10, p. 6269, doi. 10.1007/s11664-024-11317-0

By:

Almutairi, Tahani Saad

Publication type:

Article

The Impact of Different Metal Dopants on the Structural, Dielectric, and Electrical Characteristics of Bentonite: Electrical Measurements Supported by Tight-Binding Calculations.

Published in:

Journal of Electronic Materials, 2024, v. 53, n. 8, p. 4696, doi. 10.1007/s11664-024-11196-5

By:

Bashal, Ali H.

Publication type:

Article

Interweaving in/on the Air: A Scripted Synthesis of Indigenous and Settler Knowledges for Environmental Protection in Resource Development.

Published in:

Qualitative Inquiry, 2021, v. 27, n. 8/9, p. 1072, doi. 10.1177/1077800421998296

By:

Takach, Geo

Publication type:

Article

Photocatalytic decomposition of methylene blue by Cr/TiO2 composite coatings.

Published in:

Surface Engineering, 2021, v. 37, n. 4, p. 472, doi. 10.1080/02670844.2020.1742990

By:

Shi, Y.J.;
Li, J.W.;
Wang, X.Y.;
Chen, X.B.;
Yu, Z.P.

Publication type:

Article

A New Pair of Donor–Acceptor Markers for Immunoassay: A Porphyrin–Cyanine Dye. Energy Transfer in Solutions and Langmuir Films.

Published in:

Doklady Biochemistry & Biophysics, 2002, v. 386, n. 1-6, p. 268, doi. 10.1023/A:1020763728836

By:

Chudinova, G. K.;
Nagovitsyn, I. A.;
Chudinov, A. V.;
Savransky, V. V.;
Prokhorov, A. M.

Publication type:

Article

Cranking Up Chemistry Calculations.

Published in:

Bio-IT World, 2004, v. 3, n. 1, p. 12

By:

Williams, Martyn

Publication type:

Article

Assembling Artificial Photosynthetic Models in Water Using β‐Cyclodextrin‐Conjugated Phthalocyanines as Building Blocks.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300709

By:

Chen, Xiao‐Fei;
Gobeze, Habtom B.;
D'Souza, Francis;
P. Ng, Dennis K.

Publication type:

Article

A pH‐ and Metal‐Actuated Molecular Shuttle in Water.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 33, p. 1, doi. 10.1002/chem.202300633

By:

Kriat, Amine;
Pascal, Simon;
Kauffmann, Brice;
Ferrand, Yann;
Bergé‐Lefranc, David;
Gigmes, Didier;
Siri, Olivier;
Kermagoret, Anthony;
Bardelang, David

Publication type:

Article

Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal–Organic Frameworks.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 58, p. 1, doi. 10.1002/chem.202201926

By:

Christian, Matthew S.;
Nenoff, Tina M.;
Rimsza, Jessica M.

Publication type:

Article

The Role of Packing, Dispersion, Electrostatics, and Solvation in High‐Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200529

By:

Grimm, Laura M.;
Spicher, Sebastian;
Tkachenko, Boryslav;
Schreiner, Peter R.;
Grimme, Stefan;
Biedermann, Frank

Publication type:

Article

2‐Aminoalkylgold Complexes: The Putative Intermediate in Au‐Catalyzed Hydroamination of Alkenes Does Not Protodemetalate.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 38, p. 1, doi. 10.1002/chem.202200332

By:

Gubler, Joël;
Radić, Mitar;
Stöferle, Yannick;
Chen, Peter

Publication type:

Article

A Photoresponsive Receptor with a 105 Magnitude of Reversible Anion‐Binding Switching.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 26, p. 1, doi. 10.1002/chem.202200719

By:

Einkauf, Jeffrey D.;
Bryantsev, Vyacheslav S.;
Moyer, Bruce A.;
Custelcean, Radu

Publication type:

Article

Controlling the Dual‐Emission Character of Aryl‐Modified o‐Carboranes by Intramolecular CH⋅⋅⋅O Interaction Sites.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 20, p. 1, doi. 10.1002/chem.202200155

By:

Ochi, Junki;
Yuhara, Kazuhiro;
Tanaka, Kazuo;
Chujo, Yoshiki

Publication type:

Article

The Decisive Role of Spin States and Spin Coupling in Dictating Selective O2 Adsorption in Chromium(II) Metal–Organic Frameworks**.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 18, p. 1, doi. 10.1002/chem.202104526

By:

Jose, Reshma;
Kancharlapalli, Srinivasu;
Ghanty, Tapan K.;
Pal, Sourav;
Rajaraman, Gopalan

Publication type:

Article

Binding Interactions in Copper, Silver and Gold π‐Complexes.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 13, p. 1, doi. 10.1002/chem.202103984

By:

Mehara, Jaya;
Watson, Brandon T.;
Noonikara‐Poyil, Anurag;
Zacharias, Adway O.;
Roithová, Jana;
Rasika Dias, H. V.

Publication type:

Article

Bulk Mn2+ Doped 1D Hybrid Lead Halide Perovskite with Highly Efficient, Tunable and Stable Broadband Light Emissions.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 6, p. 1, doi. 10.1002/chem.202103043

By:

Jing, Chang‐Qing;
Yin, Xu;
Xiao, Pan‐Chao;
Gao, Yu‐Jia;
Wu, Xiao‐Min;
Yue, Cheng‐Yang;
Lei, Xiao‐Wu

Publication type:

Article

PTFE/EP Reinforced MOF/SiO2 Composite as a Superior Mechanically Robust Superhydrophobic Agent towards Corrosion Protection, Self‐Cleaning and Anti‐Icing.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 2, p. 1, doi. 10.1002/chem.202103220

By:

Hussain, Muhammad Muzammal;
Majeed, Muhammad K.;
Ma, Haitao;
Wang, Yunpeng;
Saleem, Adil;
Lotfi, Mina

Publication type:

Article

Exploring the Influence of Intermolecular Interactions in Prebiotic Chemistry Using Laser Spectroscopy and Calculations.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 1, p. 1, doi. 10.1002/chem.202103636

By:

Camiruaga, Ander;
Usabiaga, Imanol;
Calabrese, Camilla;
Lamas, Iker;
Basterretxea, Francisco J.;
Fernández, José A.

Publication type:

Article