Timur A. Aliev

Data driven approach for topological data of polyelectrolytes assembly

Aleksei V. Meshkov, Olesya V. Khoroshilova, Vladimir V. Potapov, Timur A. Aliev et autres

Layer-by-layer (LbL) assembly of polyelectrolytes is a universal method for controlling composite coatings. When combined with atomic force microscopy (AFM), it is useful strategy to analyze morphology. Optimisation of the LbL technique is bottlenecked by manual sample preparation, and there is also …

ru (code pays fourni par la source)

Characterizing functional group composition of needle coke feedstocks via infrared spectroscopy: Experimental and simulation techniques

Denis O. Potapov, Gintaras A. Gliaudelis, Ilia V. Kopanichuk, Dmitrii A. Sbytov et autres

ru (code pays fourni par la source)

AI-DRIVEN COFFEE TASTING: PREDICTING TASTE ATTRIBUTES FROM ELECTROCHEMICAL IMPRINTS

Rodion Golovinsky, Ilya Ivanov, Aleksandr S. Aglikov, Timur A. Aliev et autres

ru (code pays fourni par la source)

CaviDAC: Computational Prediction of Cavity Volumes in Calixarenes via Tessellation and Divide‐and‐Conquer Algorithms

Sergei A. Karalash, Anna V. Shmurygina, Nikita A. Krotkov, Timur A. Aliev et autres

Abstract Macrocyclic compounds enable diverse applications utilizing their cavity for guest encapsulation. Current approaches to cavity volume calculation in tunnel‐like cavities suffer from weak predictability due to mouth opening ambiguity. Here tessellation and divide‐and‐conquer approaches to the cavity volume prediction in calixarene …

ru (code pays fourni par la source)

Nanostructured Material Design via a Retrieval-Augmented Generation (RAG) Approach: Bridging Laboratory Practice and Scientific Literature

Nikita A. Krotkov, Dmitrii A. Sbytov, Anna A. Chakhoyan, Polina I. Kornienko et autres

The increasing complexity in designing nanostructured materials for electronics, biomedicine, and energy applications requires advanced computational methods to enhance research efficiency and minimize experimental costs. This study proposes an innovative agent-based retrieval-augmented generation (RAG) system integrated with large language models (LLMs) to …

ru, am (code pays fourni par la source)

Direct insights into synthesis, protein integrity, and blood microrheology of albumin microbubbles

Tatiana M Estifeeva, Denis A. Borozdenko, A. V. Papugaeva, Galina L Kalinichenko et autres

ru (code pays fourni par la source)

Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms

Saadiallakh Normatov, Pavel V. Nesterov, Timur A. Aliev, Alexandra A. Timralieva et autres

This work proposes several machine learning models that predict B3LYP-D4/def-TZVP outputs from HF-3c outputs for supramolecular structures. The data set consists of 1031 entries of dimer, trimer, and tetramer cyclic structures, containing both molecules with heteroatoms in the ring and without. Six …

ru (code pays fourni par la source)

A portable electrochemical immunosensor for detection of S. aureus based on polyelectrolyte-modified screen-printed carbon electrode

Anna A. Baldina, Anna A. Nikitina, Timur A. Aliev, Artemii M. Zenkin et autres

In this report, we present electrochemical immunosensors for the detection of S. aureus bacteria on the basis of SPCE/PEI/АBSA/PSS layer-by-layer assembly as a recognition element. QCM measurements and AFM imaging ensure effective adhesion of S. aureus antibody to PEI surface and its …

Rosé or white, glass or plastic: computer vision and machine learning study of cavitation bubbles in sparkling wines

Timur A. Aliev, Ilya Korolev, Mikhail Yasnov, Michael Nosonovsky et autres

, the interaction of natural and cavitation bubbles is a non-trivial matter. We study ultrasonic cavitation bubbles in two types of sparkling wines and two types of glasses with the computer vision (CV) analysis of video images and clustering using an artificial …

ru, us (code pays fourni par la source)

Allogeneic hematopoietic stem cell transplantation for pediatric acute leukemia: single center experience in 150 pediatric patients transplanted in 2021-2023

И. О. Костарева, Кирилл Игоревич Киргизов, Timur A. Aliev, N. G. Stepanyan et autres

Introduction: Allogeneic hematopoietic stem cell transplantation (aHSCT) is an effective and safe option for treatment of pediatric acute leukemia.Key factors for successful aHSCT in children are the combination of transplant technologies and supportive care.

Autologous transplantation of hematopoietic stem cells for malignant neoplasms in children: experience of the N.N. Blokhin center

Timur A. Aliev, Elena B. Machneva, И. О. Костарева, Karina A. Sergeenko et autres

Tandem autologous hematopoietic stem cell transplantation is safe and effective for treatment of pediatric solid tumors: results of multicentre retrospective study in Russia

K. I. Kirgizov, Yu. A. Smirnova, Ilya Viktorovich Kazantsev, Svetlana A. Kuleva et autres

Introduction: Tandem autologous hematopoietic stem cell transplantation (aHSCT) is an integral part of modern approach to the treatment of pediatric high risk solid tumors.This confirms the actuality of multicenter studies of tandem aHSCT safery profile and efficacy.Methodology: This is a retrospective multicenter …

ru (code pays fourni par la source)