Works matching DE "MOLECULAR interactions"

Results: 4257

A tale of two codes: CUDA vs OpenACC for mass-zero constrained dynamics.

Published in:

International Journal of High Performance Computing Applications, 2025, v. 39, n. 4, p. 502, doi. 10.1177/10943420251331673

By:

Vignolo, Alessia;
Baird, Taylor James;
Spiga, Filippo;
Canevari, Claudia;
Coretti, Alessandro;
Vuilleumier, Rodolphe;
Cavalli, Andrea;
Bonella, Sara;
Decherchi, Sergio

Publication type:

Article

Graph attention networks for predicting drug-gene association of glucocorticoid in oral squamous cell carcinoma: A comparison with GraphSAGE.

Published in:

PLoS ONE, 2025, v. 20, n. 7, p. 1, doi. 10.1371/journal.pone.0327619

By:

Yuwanati, Monal;
Thiyagarajan, Santhanamari;
Ealla, Kranti Kiran Reddy;
Jain, Yash;
Yadalam, Pradeep Kumar;
Mullainathan, Senthil Murugan;
Nanda, Anima;
Sahoo, Samir;
Uti, Daniel Ejim

Publication type:

Article

The Link Between TGF‐β Signaling and Chromatin Dynamics Takes an Unexpected Path.

Published in:

BioEssays, 2025, v. 47, n. 7, p. 1, doi. 10.1002/bies.70013

By:

Mallo, Moises

Publication type:

Article

Investigation of molecular interactions in binary mixtures at various temperatures and correlation with the Jouyban–Acree model (3-pentanol, 2,4-dimethyl aniline, 2,5-dimethyl aniline and 2,6-dimethyl aniline).

Published in:

Physics & Chemistry of Liquids, 2025, v. 63, n. 4, p. 584, doi. 10.1080/00319104.2025.2451139

By:

G.S., Manukonda;
D, Anitha;
D, Bala;
V. N, Narasimha Murthy;
P., Venkateswara Rao;
M, Murali

Publication type:

Article

Temperature-dependent thermodynamic predictions for N,N-dimethylbenzylamine + pentanol systems using the Jouyban-Acree equation (active amyl alcohol, 2-pentanol and 2-methyl-2-butanol).

Published in:

Physics & Chemistry of Liquids, 2025, v. 63, n. 4, p. 614, doi. 10.1080/00319104.2025.2451135

By:

Manukonda, G.S.;
K.S, Shalini;
Kumar;
V.N, Narasimha Murthy;
Venkateswara Rao, P.;
Babu, Shaik

Publication type:

Article

Characterising molecular interactions of [Emim][triflate] with 2-methoxyethanol and 1-methyl-2-pyrrolidone: a refractive index and IR spectral study.

Published in:

Physics & Chemistry of Liquids, 2025, v. 63, n. 4, p. 520, doi. 10.1080/00319104.2025.2450313

By:

Aangothu, Sreenivasa Rao;
Prathipati, Sowjanya;
Krishnan, V. B. R.;
Ghanta, Srinivasa Rao;
Munnangi, Srinivasa Reddy

Publication type:

Article

Thermophysical properties of binary mixtures of 1-aminobutane with butanol at 298.15 K to 318.15 K: FTB model, PFP theory and Ab-initio approach.

Published in:

Physics & Chemistry of Liquids, 2025, v. 63, n. 4, p. 497, doi. 10.1080/00319104.2025.2450305

By:

Verma, Sweety;
Rani, Manju;
Song, Hojun;
Maken, Sanjeev

Publication type:

Article

Ultrasonic, DFT and FTIR studies to investigate molecular interactions in binary mixtures of 2-ethoxyethanol with 2-pyrrolidinone and N-methylacetamide at different temperatures.

Published in:

Physics & Chemistry of Liquids, 2025, v. 63, n. 4, p. 536, doi. 10.1080/00319104.2025.2450302

By:

Awasthi, Anjali;
Singh Bhal, Amita;
Singh, Anamika;
Pandey, Puneet Kumar;
Gupta, Monika

Publication type:

Article

Single-cell analysis reveals a longitudinal trajectory of meningioma evolution and heterogeneity.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-60653-0

By:

Lee, Ji Yoon;
Lee, Eun Jung;
Seo, Bo Yeon;
Kim, Jiwon;
Song, Youjin;
Lee, Dayoung;
Moon, Namsung;
Koo, Harim;
Park, Chul-Kee;
Kim, Min-Sung;
Park, Serk In;
Nam, Do-Hyun;
Kong, Doo-Sik;
Sa, Jason K.

Publication type:

Article

DDX3X and virus interactions: functional diversity and antiviral strategies.

Published in:

Frontiers in Microbiology, 2025, p. 1, doi. 10.3389/fmicb.2025.1630068

By:

Ma, Shengming;
Mao, Qian;
Weng, Shaoting;
Teng, Man;
Luo, Jun;
Zhang, Kunpeng

Publication type:

Article

Assessment of the cytostasis and chromosomal instability potential of myricetin and its chemopreventive effect against bleomycin-induced cyto-genotoxicity.

Published in:

Journal of Toxicology & Environmental Health: Part A, 2025, v. 88, n. 17, p. 688, doi. 10.1080/15287394.2025.2491556

By:

Trintinaglia, Michele;
de Souza, Ana Paula;
Gonçalves Trindade, Maria Eduarda;
Lehmann, Mauricio;
Conter, Felipe Umpierre;
Dihl, Rafael Rodrigues

Publication type:

Article

Antioxidative effects of phytoaromatic compounds on the cysteine of the SKCGS peptide as a critical aggregation domain of tau.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-04999-x

By:

Roshanfekr, Afsaneh;
Moeini, Zahra;
Golmohammadi, Farhad;
Balalaie, Saeed;
Seyedarabi, Arefeh

Publication type:

Article

山田胶锈菌性、锈孢子阶段效应蛋白的预测和筛选.

Published in:

Mycosystema, 2025, v. 44, n. 6, p. 1, doi. 10.13346/j.mycosystema.240341

By:

金之鑫;
张晓漫;
梁英梅

Publication type:

Article

Cross-tissue gene expression interactions from bulk, single cell and spatial transcriptomics with crossWGCNA.

Published in:

BMC Genomics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s12864-025-11747-y

By:

Savino, Aurora;
Iannuzzi, Raffaele M.;
Avalle, Lidia;
Lobascio, Andrea;
Iorio, Francesco;
Provero, Paolo;
Poli, Valeria

Publication type:

Article

Masahiko Yoshimura.

Published in:

Angewandte Chemie, 2025, v. 137, n. 27, p. 1, doi. 10.1002/ange.202509139

By:

Yoshimura, Masahiko

Publication type:

Article

Boosting Electronic Charge Transport in Conductive Hydrogels via Rapid Ion‐Electron Transduction.

Published in:

Angewandte Chemie, 2025, v. 137, n. 27, p. 1, doi. 10.1002/ange.202506560

By:

Li, Zhou;
Yun, Huiru;
Yan, Yuke;
Zhao, Yang;
Zhao, Fei

Publication type:

Article

MORF1 regulates the editing of orf224 transcript to modulate fertility in the polima cytoplasmic male sterility system of Brassica napus L.

Published in:

Crop Journal (2095-5421), 2025, v. 13, n. 3, p. 840, doi. 10.1016/j.cj.2025.03.017

By:

Benqi Wang;
Lei Chu;
Huadong Wang;
Jian Guo;
Zunaira Farooq;
Chaozhi Ma;
Jingxin Tu;
Jinxiong Shen;
Jing Wen;
Tingdong Fu;
Bin Yi

Publication type:

Article

Physicochemical Exploration and Computational Analysis of Bone After Subchronic Exposure to Kalach 360 SL in Female Wistar Rats.

Published in:

Toxics, 2025, v. 13, n. 6, p. 456, doi. 10.3390/toxics13060456

By:

Hamdaoui, Latifa;
El Feki, Hafedh;
Ben Amor, Marwa;
Oudadesse, Hassane;
Badraoui, Riadh;
Khalil, Naila;
Brahmi, Faten;
Jilani, Saoussen;
Aloufi, Bandar;
Ben Amara, Ibtissem;
Rebai, Tarek

Publication type:

Article

Occurrence and Toxicity Mechanisms of Perfluorononanoic Acid, Perfluorodecanoic Acid, and Perfluoroundecanoic Acid in Fish: A Review.

Published in:

Toxics, 2025, v. 13, n. 6, p. 436, doi. 10.3390/toxics13060436

By:

Ivantsova, Emma;
Sultan, Amany;
Martyniuk, Christopher J.

Publication type:

Article

Marine-Derived Peptides from Phaeodactylum tricornutum as Potential SARS-CoV-2 Mpro Inhibitors: An In Silico Approach.

Published in:

Microorganisms, 2025, v. 13, n. 6, p. 1271, doi. 10.3390/microorganisms13061271

By:

Cañedo-Figueroa, David Mauricio;
Valdez-Flores, Marco Antonio;
Norzagaray-Valenzuela, Claudia Desireé;
Calderón-Zamora, Loranda;
Rábago-Monzón, Ángel Radamés;
Camberos-Barraza, Josué;
Guadrón-Llanos, Alma Marlene;
Herrán-Arita, Alberto Kousuke De la;
Picos-Cárdenas, Verónica Judith;
Camacho-Zamora, Alejandro;
Romero-Utrilla, Alejandra;
Cordero-Rivera, Carlos Daniel;
Ángel, Rosa María del;
León-Juárez, Moisés;
Reyes-Ruiz, José Manuel;
Farfan-Morales, Carlos Noe;
De Jesús-González, Luis Adrián;
Osuna-Ramos, Juan Fidel

Publication type:

Article

Elucidating the Molecular Mechanisms of Sex Ratio Distortion Mediated by Cytoplasmic Symbionts Open Access.

Published in:

Genome Biology & Evolution, 2025, v. 17, n. 6, p. 1, doi. 10.1093/gbe/evaf110

By:

Cordaux, Richard;
Gilbert, Clément

Publication type:

Article

A Pioneering Review on Quantitative Analysis of the Effect of Macromolecular Crowding on Drug Transport and Release: Current Implications.

Published in:

Journal of Macromolecular Science: Physics, 2025, v. 64, n. 8, p. 902, doi. 10.1080/00222348.2024.2371245

By:

Singh, Dilpreet;
Singh, Lovedeep

Publication type:

Article

Quality by Design and In Silico Approach in SNEDDS Development: A Comprehensive Formulation Framework.

Published in:

Pharmaceutics, 2025, v. 17, n. 6, p. 701, doi. 10.3390/pharmaceutics17060701

By:

Priani, Sani Ega;
Fakih, Taufik Muhammad;
Wilar, Gofarana;
Chaerunisaa, Anis Yohana;
Sopyan, Iyan

Publication type:

Article

Molecular Genomics of Oral Submucous Fibrosis: A Narrative Review.

Published in:

Genes, 2025, v. 16, n. 6, p. 612, doi. 10.3390/genes16060612

By:

Zisis, Vasileios;
Zisis, Stefanos;
Charisi, Christina;
Poulopoulos, Konstantinos;
Sarkisian, Aristeidis;
Poulopoulos, Athanasios

Publication type:

Article

Formation mechanisms of molecular compound in saturated‐unsaturated mixed‐acid triacylglycerols mixture systems and its edible applications.

Published in:

Journal of the American Oil Chemists' Society (JAOCS), 2024, v. 101, n. 1, p. 79, doi. 10.1002/aocs.12776

By:

Bayés‐García, Laura;
Sato, Kiyotaka;
Zhang, Lu;
Yoshikawa, Shinichi;
Kaneko, Fumitoshi;
Yamamoto, Yoshinori;
Watanabe, Shimpei;
Taguchi, Ken

Publication type:

Article

Deciphering the Brain Communication Pathways.

Published in:

Innovation, 2013, v. 12, n. 1, p. 32

By:

Bezerianos, Anastasios;
Yu Sun;
Babiloni, Fabio;
Thakor, Nitish

Publication type:

Article

Generalized Durability Models and their Application to Solving Problems on Predicting the Defining Characteristics of Composites.

Published in:

Mechanics of Composite Materials, 2022, v. 58, n. 3, p. 355, doi. 10.1007/s11029-022-10034-1

By:

Gusev, E. L.;
Bakulin, V. N.

Publication type:

Article

Preparation of a stoichiometric molecularly imprinted polymer for auramine O and application in solid‐phase extraction.

Published in:

Journal of Separation Science, 2019, v. 42, n. 8, p. 1634, doi. 10.1002/jssc.201801234

By:

Pataer, Parezhati;
Muhammad, Turghun;
Turahun, Yunusjan;
Yang, Wenwu;
Aihebaier, Sailemayi;
Wubulikasimu, Muyasier;
Chen, Lingxin

Publication type:

Article

Hydrophilic solid-phase extraction of melamine with ampholine-modified hybrid organic-inorganic silica material.

Published in:

Journal of Separation Science, 2015, v. 38, n. 1, p. 87, doi. 10.1002/jssc.201400900

By:

Wang, Tingting;
Zhu, Yiming;
Ma, Junfeng;
Xuan, Rongrong;
Gao, Haoqi;
Liang, Zhen;
Zhang, Lihua;
Zhang, Yukui

Publication type:

Article

Is click chemistry attractive for separation sciences?

Published in:

Journal of Separation Science, 2013, v. 36, n. 13, p. 2049, doi. 10.1002/jssc.201300231

By:

Marechal, Audrey;
El‐Debs, Racha;
Dugas, Vincent;
Demesmay, Claire

Publication type:

Article

Preparation of non-covalent Metalloporphyrin/C<sub>60</sub> Composite and its Electrocatalysis to Hydrogen Peroxide.

Published in:

Electroanalysis, 2017, v. 29, n. 3, p. 696, doi. 10.1002/elan.201600495

By:

Zhu, Jie;
Gong, Xiaojie;
Zhang, Mengdan;
Zheng, Chaoyue;
Chen, Naiwu;
Sandford, Graham;
Wu, Qiong;
Huang, Wei;
Gao, Deqing

Publication type:

Article

The 4D Dirac Equation in Five Dimensions.

Published in:

Annalen der Physik, 2018, v. 530, n. 10, p. N.PAG, doi. 10.1002/andp.201800042

By:

Breban, Romulus

Publication type:

Article

Functionalized Polyelectrolytes Assembling on Nano-BioFETs for Biosensing Applications.

Published in:

Advanced Functional Materials, 2015, v. 25, n. 15, p. 2279, doi. 10.1002/adfm.201500002

By:

Duan, Xuexin;
Mu, Luye;
Sawtelle, Sonya D.;
Rajan, Nitin K.;
Han, Ziyu;
Wang, Yanyan;
Qu, Hemi;
Reed, Mark A.

Publication type:

Article

Improved Thermal Stability of Polymer Solar Cells by Incorporating Porphyrins.

Published in:

Advanced Functional Materials, 2015, v. 25, n. 5, p. 748, doi. 10.1002/adfm.201403018

By:

Wang, Sisi;
Qu, Yunpeng;
Li, Sijun;
Ye, Feng;
Chen, Zhaobin;
Yang, Xiaoniu

Publication type:

Article

Synergistic Computational-Experimental Approach to Improve Ionene Polymer-Based Functional Hydrogels.

Published in:

Advanced Functional Materials, 2014, v. 24, n. 31, p. 4893, doi. 10.1002/adfm.201304230

By:

Bachl, Jürgen;
Zanuy, David;
López‐Pérez, Daniel E.;
Revilla‐López, Guillermo;
Cativiela, Carlos;
Alemán, Carlos;
Díaz, David Díaz

Publication type:

Article

Film Morphology of High Efficiency Solution-Processed Small-Molecule Solar Cells.

Published in:

Advanced Functional Materials, 2014, v. 23, n. 40, p. 5019, doi. 10.1002/adfm.201300099

By:

Love, John A.;
Proctor, Christopher M.;
Liu, Jianhua;
Takacs, Christopher J.;
Sharenko, Alexander;
van der Poll, Thomas S.;
Heeger, Alan J.;
Bazan, Guillermo C.;
Nguyen, Thuc‐Quyen

Publication type:

Article

My journey to photosynthesis.

Published in:

Photosynthesis Research, 2023, v. 157, n. 2/3, p. 159, doi. 10.1007/s11120-023-01021-1

By:

Boardman, N. Keith

Publication type:

Article

The relative abundance of wheat Rubisco activase isoforms is post-transcriptionally regulated.

Published in:

Photosynthesis Research, 2021, v. 148, n. 1/2, p. 47, doi. 10.1007/s11120-021-00830-6

By:

Perdomo, Juan Alejandro;
Buchner, Peter;
Carmo-Silva, Elizabete

Publication type:

Article

Modified molecular interactions of the pheophytin and plastoquinone electron acceptors in photosystem II of chlorophyll d-containing Acaryochloris marina as revealed by FTIR spectroscopy.

Published in:

Photosynthesis Research, 2015, v. 125, n. 1/2, p. 105, doi. 10.1007/s11120-014-0073-x

By:

Sano, Yuko;
Endo, Kaichiro;
Tomo, Tatsuya;
Noguchi, Takumi

Publication type:

Article

Molecular interactions of the quinone electron acceptors Q, Q, and Q in photosystem II as studied by the fragment molecular orbital method.

Published in:

Photosynthesis Research, 2014, v. 120, n. 1/2, p. 113, doi. 10.1007/s11120-012-9787-9

By:

Hasegawa, Koji;
Noguchi, Takumi

Publication type:

Article

Computing with biological switches and clocks.

Published in:

Natural Computing, 2018, v. 17, n. 4, p. 761, doi. 10.1007/s11047-018-9686-x

By:

Dalchau, Neil;
Szép, Gregory;
Hernansaiz-Ballesteros, Rosa;
Barnes, Chris P.;
Cardelli, Luca;
Phillips, Andrew;
Csikász-Nagy, Attila

Publication type:

Article

Interaction of cellulose and water upon drying and swelling by <sup>13</sup>C CP/MAS NMR.

Published in:

Cellulose, 2024, v. 31, n. 18, p. 10745, doi. 10.1007/s10570-024-06227-7

By:

Leskinen, Matti;
Kilpeläinen, Ilkka;
Hietala, Sami

Publication type:

Article

Mechanism of wood deformation cascading from nanoscale to macroscale in response to moisture desorption.

Published in:

Cellulose, 2024, v. 31, n. 11, p. 6581, doi. 10.1007/s10570-024-05994-7

By:

Gao, Yufa;
Fu, Zongying;
Fu, Feng;
Zhou, Yongdong;
Gao, Xin;
Zhou, Fan

Publication type:

Article

Cellulose acetate conformational changes in various aprotic solvents and the impact on membrane design.

Published in:

Cellulose, 2024, v. 31, n. 10, p. 6071, doi. 10.1007/s10570-024-05949-y

By:

Lanjewar, Shubham;
Haldar, Paramita;
Acharya, Mihir;
Ghosh, Asim K.;
Moulik, Siddhartha;
Roy, Anirban

Publication type:

Article

The occurrence of seven-fold helical molecular conformation in cellulose-phosphoric acid complex.

Published in:

Cellulose, 2023, v. 30, n. 13, p. 8063, doi. 10.1007/s10570-023-05346-x

By:

Lim, Jia Hui;
Morfin, Isabelle;
Jeacomine, Isabelle;
French, Alfred D.;
Nishiyama, Yoshiharu;
Ogawa, Yu

Publication type:

Article

Monitoring interactions through molecular dynamics simulations: effect of calcium carbonate on the mechanical properties of cellulose composites.

Published in:

Cellulose, 2023, v. 30, n. 2, p. 705, doi. 10.1007/s10570-022-04902-1

By:

Sáenz Ezquerro, Carlos;
Laspalas, Manuel;
García Aznar, José Manuel;
Crespo Miñana, Cristina

Publication type:

Article

Cellulose and the role of hydrogen bonds: not in charge of everything.

Published in:

Cellulose, 2022, v. 29, n. 1, p. 1, doi. 10.1007/s10570-021-04325-4

By:

Wohlert, Malin;
Benselfelt, Tobias;
Wågberg, Lars;
Furó, István;
Berglund, Lars A.;
Wohlert, Jakob

Publication type:

Article

Ag@ZIF-67 decorated cotton fabric as flexible, stable and sensitive SERS substrate for label-free detection of phenol-soluble modulin.

Published in:

Cellulose, 2021, v. 28, n. 11, p. 7389, doi. 10.1007/s10570-021-03971-y

By:

Xu, Jiangtao;
Shang, Songmin;
Gao, Wei;
Zeng, Ping;
Jiang, Shouxiang

Publication type:

Article

The CO2/CO32−chemistry of the NaOH(aq) model system applicable to cellulose solutions.

Published in:

Cellulose, 2020, v. 27, n. 2, p. 621, doi. 10.1007/s10570-019-02782-6

By:

Gunnarsson, Maria;
Bernin, Diana;
Hasani, Merima

Publication type:

Article

Heterologous expression, characterization and evolution prediction of a diaphorase from Geobacillus sp. Y4.1MC1.

Published in:

Biotechnology Letters, 2022, v. 44, n. 1, p. 101, doi. 10.1007/s10529-021-03215-w

By:

Shang, Jinzhao;
Yue, Shuohao;
Zeng, Fang;
Chen, Yun;
Jia, Longgang

Publication type:

Article