Frontiers in Chemistry

Original Research

Published on 18 Jun 2025

Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies

Abdulaziz H. Al Khzem
Shaban Ahmad

Frontiers in Chemistry

doi 10.3389/fchem.2025.1611972

2,328 views

Original Research

Published on 18 Jun 2025

Chemical incompatibility between formation and injection water: implications for oil recovery in porous media

Jiangtao Wang
Xiaolong Wan
Junsong Ren
Genggeng Zhu
Wei Xu
Yingxue Hu

Frontiers in Chemistry

doi 10.3389/fchem.2025.1621714

2,135 views
3 citations

Original Research

Published on 17 Jun 2025

Stable H-bond networks are crucial for selective CLK1 inhibition: a computational perspective

Yuzhou Huang
Baichun Hu
Haihan Liu
Jian Wang
Na Duan

Frontiers in Chemistry

doi 10.3389/fchem.2025.1582515

1,810 views

Editorial

Published on 16 Jun 2025

Editorial: Metal organic frameworks for antimicrobial prevention and treatments

Maria Cristina Cassani
Raymond J. Turner
Francesca Bonvicini
Silvia Panzavolta

Frontiers in Chemistry

doi 10.3389/fchem.2025.1636763

2,862 views

Original Research

Published on 13 Jun 2025

Protein-based double-network hydrogels mimicking oral mucosa

Yu Zhang
Liang Dong
Keqing Wang
Yuanqi Cheng
Tian Gao
Jiapeng Yang
Xiaochen Shen
Yi Cao
Bin Xue

Frontiers in Chemistry

doi 10.3389/fchem.2025.1618870

3,792 views

Review

Published on 12 Jun 2025

Valorization of natural adsorbents for removing chromium (VI) from industrial wastewater: a review

Hajira Haroon
Tayyab Ashfaq Butt
Jehanzeb Ali Shah
Alin Ciobica
Laura Ecaterina Romila
Vasile Burlui
Hamida Bibi
Muhammad Bilal

Frontiers in Chemistry

doi 10.3389/fchem.2025.1608863

3,068 views
3 citations

Review

Published on 12 Jun 2025

A systematic review of sensors to combat crime and routes to further sensor development

Alice E. Cozens
Shane D. Johnson
Tung-Chun Lee

Frontiers in Chemistry

doi 10.3389/fchem.2025.1568867

7,787 views
2 citations

Original Research

Published on 12 Jun 2025

In silico molecular studies of Phosphinogold(I) thiocarbohydrate complexes: insights into multi-target anticancer mechanisms

Alkhair Adam Khalil Mohamed
Isaac Asiamah
Ghazi Elamin
James Darkwa
Christian K. Adokoh

Frontiers in Chemistry

doi 10.3389/fchem.2025.1533026

2,655 views

Original Research

Published on 11 Jun 2025

Computational methodology and molecular dynamics analysis of andrographolide bioactivity against Cutibacterium acnes

Min Lin
Lihui He
Guodong Ye
Xiaotian Zhao

Frontiers in Chemistry

doi 10.3389/fchem.2025.1627758

2,726 views
1 citation

Original Research

Published on 11 Jun 2025

Effective removal of naphthalene from water using bacteria and bacteria-load carrier materials

Kui Liu
Wen-Chieh Cheng
Yi-Xin Xie
Lin Wang
Zhong-Fei Xue
Bowen Yang
Hao Zhang
Jia Min
Miao Yao

Frontiers in Chemistry

doi 10.3389/fchem.2025.1597470

1,935 views
1 citation

Original Research

Published on 11 Jun 2025

Two-dimensional QSAR-driven virtual screening for potential therapeutics against Trypanosoma cruzi

Naseer Maliyakkal
Sunil Kumar
Ratul Bhowmik
Harish Chandra Vishwakarma
Prabha Yadav
Bijo Mathew

Frontiers in Chemistry

doi 10.3389/fchem.2025.1600945

2,941 views
2 citations

Original Research

Published on 11 Jun 2025

Molecular functional mechanisms of two alcohol acetyltransferases in Lavandula x intermedia (lavandin)

Dafeng Liu
Yanyan Du
Ablikim Abdiriyim
Lvxia Zhang
Daoqi Song
Huashui Deng
Xiongying Wen
Yanyan Zhang
Bingwang Sun

Frontiers in Chemistry

doi 10.3389/fchem.2025.1627286

2,026 views
5 citations

Original Research

Published on 11 Jun 2025

Effect of acid washing and torrefaction combined pretreatment on the properties of waste tobacco stem biomass and the quality of pyrolysis bio-oil

Anni Wang
Jianhang Hu
Long Zhang
Hua Wang

Frontiers in Chemistry

doi 10.3389/fchem.2025.1603584

2,322 views

Review

Published on 11 Jun 2025

The role of intrinsically disordered regions of SARS-CoV-2 nucleocapsid and non-structural protein 1 proteins

Getasew Shitaye
Nataliia Ventserova
Gianluca D’Abrosca
Martina Dragone
Eunice Wairimu Maina
Roberto Fattorusso
Rosa Iacovino
Luigi Russo
Carla Isernia
Gaetano Malgieri

Frontiers in Chemistry

doi 10.3389/fchem.2025.1597656

3,610 views
4 citations

Original Research

Published on 10 Jun 2025

Rapid GC-MS method for screening seized drugs in forensic investigations: optimization and validation

Asma M. Askar
Auhood Y. Al Ali
Meera K. Khalifa
Ali A. Salem
Buthaina M. Alkhuwaildi
Iltaf Shah

Frontiers in Chemistry

doi 10.3389/fchem.2025.1559279

9,966 views
4 citations

Original Research

Published on 10 Jun 2025

Engineering the mechanical characteristics of regenerated silk fibroin materials: the impact of chemical and physical modification strategies

Haitao Guan
Fang Ding
Ye Xue
Jinli Zhao

Frontiers in Chemistry

doi 10.3389/fchem.2025.1606995

4,093 views
4 citations

Mini Review

Published on 10 Jun 2025

Atomistic simulation of olefin polymerization reaction by organometallic catalyst: significant role of microscopic structural dynamics of (pyridylamido) Hf(IV) complex in catalytic reactivity

Kentaro Matsumoto
Nana Misawa
Shuhei Kanesato
Masataka Nagaoka

Frontiers in Chemistry

doi 10.3389/fchem.2025.1618025

2,175 views

Original Research

Published on 09 Jun 2025

HIF1A acts as target of XiHuang Pill in the treatment of papillary thyroid cancer by regulating dedifferentiation

Xu-Zhe Yu
Wei-Li Zhu
Hua-Chun Qian
Chun-Jiang Sun

Frontiers in Chemistry

doi 10.3389/fchem.2025.1607067

2,959 views
1 citation

Correction

Published on 09 Jun 2025

Correction: Exploring the therapeutic mechanism of curcumin in spinal cord injury treatment based on network pharmacology, molecular dynamics simulation, and experimental validation

Yongzhi He
Jiachun Lu
Yushan Luo
Rizhao Pang
Xiaoming Hu
Lijuan Ding
Hua Xiao
Yunyun Wang
Wenchun Wang

Frontiers in Chemistry

doi 10.3389/fchem.2025.1636136

1,607 views

Original Research

Published on 09 Jun 2025

Integrated computational and experimental identification of N-[(1H-1,2,4-triazol-3-yl)phenyl]-1-(1H-pyrazolo[3,4-b]pyridin-3-yl)methanamide as a potent and selective TIM-3 inhibitor for NSCLC immunotherapy

Xinxin Ying
Yangyong Lou
Yueming Wu
Weiwei Hu

Frontiers in Chemistry

doi 10.3389/fchem.2025.1622511

2,700 views

Perspective

Published on 06 Jun 2025

Non-covalent interactions in MOFs: a quantum approach to gas adsorption and molecular encapsulation

Erika Medel
Rubicelia Vargas

Frontiers in Chemistry

doi 10.3389/fchem.2025.1579977

4,099 views
1 citation

Original Research

Published on 06 Jun 2025

Understanding mechanisms of Polygonatum sibiricum-derived exosome-like nanoparticles against breast cancer through an integrated metabolomics and network pharmacology analysis

Tingwen Ming
Yang Yang
Bing Shang
Zhihao Li
Fangling Ren
Lun Wu
Shuya Zhang
Jun Zhu
Qinhua Chen
Jingjian Liu

Frontiers in Chemistry

doi 10.3389/fchem.2025.1559758

5,523 views
4 citations

Mini Review

Published on 05 Jun 2025

Effects of fluorine modification on the photocatalytic hydrogen production performance of TiO2

Jie Hu
Xianhao Shan
Shan Wu
Pengfei Sun
Zhengyuan Gao
Zhong Ren
Xiangchao Feng
Shuai Wang

Frontiers in Chemistry

doi 10.3389/fchem.2025.1621188

2,586 views

Original Research

Published on 05 Jun 2025

Vineyard pruning-wood waste valorisation: sustainable extraction of bioactive compounds

Elisabetta Tumminelli
Valeria Cavalloro
Chiara Ingrà
Alessandra Ferrandino
Alessio Porta
Giorgio Marrubini
Emanuela Martino
Daniela Rossi
Simona Collina

Frontiers in Chemistry

doi 10.3389/fchem.2025.1597833

2,483 views
2 citations

8,144 Publications

volumes

Volume 13 - 2025

Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies

Chemical incompatibility between formation and injection water: implications for oil recovery in porous media

Stable H-bond networks are crucial for selective CLK1 inhibition: a computational perspective

Editorial: Metal organic frameworks for antimicrobial prevention and treatments

Protein-based double-network hydrogels mimicking oral mucosa

Valorization of natural adsorbents for removing chromium (VI) from industrial wastewater: a review

A systematic review of sensors to combat crime and routes to further sensor development

In silico molecular studies of Phosphinogold(I) thiocarbohydrate complexes: insights into multi-target anticancer mechanisms

Computational methodology and molecular dynamics analysis of andrographolide bioactivity against Cutibacterium acnes

Effective removal of naphthalene from water using bacteria and bacteria-load carrier materials

Two-dimensional QSAR-driven virtual screening for potential therapeutics against Trypanosoma cruzi

Molecular functional mechanisms of two alcohol acetyltransferases in Lavandula x intermedia (lavandin)

Effect of acid washing and torrefaction combined pretreatment on the properties of waste tobacco stem biomass and the quality of pyrolysis bio-oil

The role of intrinsically disordered regions of SARS-CoV-2 nucleocapsid and non-structural protein 1 proteins

Rapid GC-MS method for screening seized drugs in forensic investigations: optimization and validation

Engineering the mechanical characteristics of regenerated silk fibroin materials: the impact of chemical and physical modification strategies

Atomistic simulation of olefin polymerization reaction by organometallic catalyst: significant role of microscopic structural dynamics of (pyridylamido) Hf(IV) complex in catalytic reactivity

HIF1A acts as target of XiHuang Pill in the treatment of papillary thyroid cancer by regulating dedifferentiation

Correction: Exploring the therapeutic mechanism of curcumin in spinal cord injury treatment based on network pharmacology, molecular dynamics simulation, and experimental validation

Integrated computational and experimental identification of N-[(1H-1,2,4-triazol-3-yl)phenyl]-1-(1H-pyrazolo[3,4-b]pyridin-3-yl)methanamide as a potent and selective TIM-3 inhibitor for NSCLC immunotherapy

Non-covalent interactions in MOFs: a quantum approach to gas adsorption and molecular encapsulation

Understanding mechanisms of Polygonatum sibiricum-derived exosome-like nanoparticles against breast cancer through an integrated metabolomics and network pharmacology analysis

Effects of fluorine modification on the photocatalytic hydrogen production performance of TiO2

Vineyard pruning-wood waste valorisation: sustainable extraction of bioactive compounds