Article
Spectroscopy
Meiheng Lv, Yue Gao, Zexu Cai, Zhe Tang, Yuhang Zhang, Tingting Wang, Wenze Li
Summary: This study comprehensively investigated the excited state behavior of a group of newly developed triazole pyrimidine fluorophores and proposed a new fluorescence mechanism. The results are of great significance for the application of these fluorescent compounds in other fields and the regulation of fluorescence properties.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Multidisciplinary
Jiaxin Feng, Ganbing Zhang, Ju Wen, Xianying He, Ming Li
Summary: 2D materials have attracted great interest, but the stability of ultra-thin nanosheets remains a challenge. A new study addresses the problem by synthesizing a free-standing 2D ionic salt, which is supported by a strong hydrogen bond. The research not only contributes to the construction of novel materials but also deepens the understanding of hydrogen bonding interactions.
Article
Chemistry, Applied
Guifen Lu, Luyao Duan, Suci Meng, Peiyang Cai, Sihan Ding, Xiaochun Wang
Summary: A new colorimetric and turn-on fluorescent probe NPC-H2S with a large Stokes shift was designed and synthesized for the detection of hydrogen sulfide. The probe displayed high selectivity and sensitivity, ultra-fast recognition, low limit of detection, and a visible colorimetric change. It was successfully applied for the detection of H2S in water and food samples, as well as for fluorescent bioimaging of H2S in living cells and zebrafish.
Article
Spectroscopy
Yun Hua, Yajing Shang, Mengjiao Gao, Jin Li, Yanfei Kang
Summary: The newly designed turn-on fluorescent probe DCM-C shows high selectivity and sensitivity for detecting H2O2, with a detection limit as low as 35.5 nM. It can effectively identify and detect exogenous and endogenous H2O2 in cells, and is suitable for fluorescence imaging in zebrafish.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Spectroscopy
Minghui Wang, Jiajia Chen, Xin Gu, Xindi Yang, Jia Fu, Kuoxi Xu
Summary: In this study, a novel near-infrared emitting fluorescent probe WFP-PC was developed for the detection of hydrogen sulfide (H2S). The probe showed significant fluorescence enhancement and a response time within 4 minutes upon treatment with H2S, with a detection limit as low as 0.47 μM. It was successfully applied for imaging exogenous/endogenous H2S in cells and mice, indicating its potential as a molecular tool for H2S detection in living systems.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Physical
Mikio Maseda, Yoshinobu Miyazaki, Toshiyuki Takamuku
Summary: The study investigated the complex formation of boric acid with various hydroxy acids and polyols in aqueous solutions, demonstrating different enthalpic and entropic effects driving the formation of 1:1 and 1:2 complexes in different systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Agriculture, Multidisciplinary
Xiaokun Yang, Xiaoyan Lu, Jiamin Wang, Zunlong Zhang, Xiaolin Du, Jian Zhang, Jianhong Wang
Summary: This study developed a fluorescent probe for detecting hydrogen sulfide and demonstrated its applications in live cells and zebrafish. The probe can also be used to detect hydrogen sulfide gas produced during food spoilage, providing a promising approach for monitoring H2S in biological systems and practical food samples.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Chemistry, Physical
Gowtham Kenguva, Lopamudra Giri, Smruti Rekha Rout, Achyuta Nanda Acharya, Rambabu Dandela
Summary: Panobinostat (PNB) is a medication used for multiple myeloma treatment. Several solid forms of PNB with improved physicochemical properties have been produced using mechanochemistry and solution crystallisation techniques. The solubility of the PNB variants was found to be significantly higher than that of the parent medication, particularly PNB.MA which exhibited a 73-fold increase in solubility. These molecular adducts demonstrated stability at pH 6.8 and transformed into PNB.Cl salt at pH 1.2.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Spectroscopy
Xu Tong, Liguo Hao, Xue Song, Shuang Wu, Na Zhang, Zhongtao Li, Song Chen, Peng Hou
Summary: Recent studies have shown that H2S, an endogenous gas-messenger, plays an important role in physiological processes and its abnormal levels can lead to serious diseases. In this work, a novel fluorescent probe COZ-DNB was developed for detecting H2S with high sensitivity, stability, and selectivity. The probe was applied successfully in imaging exogenous and endogenous H2S in living cells and zebrafish. This research provides a potential tool for investigating the biological functions of H2S in pathological processes.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Multidisciplinary Sciences
Jan Paulo T. Zaragoza, Adam R. Offenbacher, Shenshen Hu, Christine L. Gee, Zachary M. Firestein, Natalie Minnetian, Zhenyu Deng, Flora Fan, Anthony T. Iavarone, Judith P. Klinman
Summary: The study investigates the deep tunneling mechanisms in hydrogen transfer catalysis using soybean lipoxygenase (SLO) as a prototype enzyme. Through X-ray studies and hydrogen-deuterium exchange experiments, a radiating cone of aliphatic side chains connecting the active site iron center of SLO to the protein-solvent interface is identified. The findings suggest a direct coupling between distal protein motions and active site motions in controlling catalysis.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Spectroscopy
Hang Su, Jingpei Wang, Xiuxiu Yue, Benhua Wang, Xiangzhi Song
Summary: A ratiometric fluorescent probe MA-N2H4 was developed for simple and convenient detection of hydrazine (N2H4) in environmental and biological systems. The probe exhibited a significant blue-shifted emission and a rapid increase in fluorescent intensity ratio after treatment with N2H4, allowing for fast detection. Additionally, the probe was successfully used for tracking N2H4 in living cells and zebrafish.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Chemistry, Organic
Claudia Brito da Silva, Luana Silva, Natali Pires Debia, Otavio Augusto Chaves, Diogo Seibert Ludtke, Fabiano Severo Rodembusch
Summary: This study presents the synthesis of novel glycoconjugates with long wavelength emission and large Stokes shift using a copper-catalyzed 1,3-dipolar cycloaddition. These compounds show potential as chemical sensors for detecting Cu2+ ions and demonstrate strong interaction with proteins.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Organic
Yixun Sun, Tian Yang, Chong Chen, Bo Yang, Yihui Yang, Jing Li, Huaming Sun, Junfa Wei
Summary: The novel PAC derivatives and CPACs exhibit significantly red-shifted absorption and emission capacity, larger Stokes shifts, and narrower HOMO-LUMO energy gaps.
Article
Chemistry, Applied
Guifen Lu, Yongjie Gao, Xiaochun Wang, Dianqi Zhang, Suci Meng, Siyuan Yu, Yanfang Zhuang, Luyao Duan
Summary: In this study, a near-infrared fluorescent probe COR-DNBS based on corrole derivative was designed and synthesized for detection of hydrogen sulfide. The probe showed high selectivity and sensitivity, with a fast response and desirable properties for bioimaging applications.
Article
Materials Science, Multidisciplinary
Simone Sotgiu, Tommaso Venanzi, Francesco Macheda, Elena Stellino, Michele Ortolani, Paolo Postorino, Leonetta Baldassarre
Summary: In this study, we investigated the Raman modes in MoSe2 using resonance Raman scattering and found that the intensity of high-order modes is enhanced at an excitation energy of 1.16 eV. By comparing experimental results with theoretical calculations, we identified that the high-order modes mostly originate from two-phonon modes with opposite momenta. We also observed that lowering the crystal temperature actively suppresses the intensity of resonant two-phonon modes.
Article
Microbiology
Rudramani Pokhrel, Prem Chapagain, Jessica Siltberg-Liberles
JOURNAL OF MEDICAL MICROBIOLOGY
(2020)
Article
Virology
Kaveesha J. Wijesinghe, Luke McVeigh, Monica L. Husby, Nisha Bhattarai, Jia Ma, Bernard S. Gerstman, Prem P. Chapagain, Robert V. Stahelin
Article
Multidisciplinary Sciences
Prabin Baral, Elumalai Pavadai, Bernard S. Gerstman, Prem P. Chapagain
SCIENTIFIC REPORTS
(2020)
Article
Microbiology
Kristen A. Johnson, Rudramani Pokhrel, Melissa R. Budicini, Bernard S. Gerstman, Prem P. Chapagain, Robert Stahelin
Article
Biochemistry & Molecular Biology
Samiol Azam, Nisha Bhattarai, Adriana Riveron, Sasha Rodriguez, Prem P. Chapagain, Jaroslava Miksovska
ACS CHEMICAL NEUROSCIENCE
(2020)
Article
Biochemistry & Molecular Biology
Souad Amiar, Monica L. Husby, Kaveesha J. Wijesinghe, Stephanie Angel, Nisha Bhattarai, Bernard S. Gerstman, Prem P. Chapagain, Sheng Li, Robert Stahelin
Summary: Marburg virus is a lipid-enveloped virus that assembles and buds from the host cell plasma membrane through matrix protein oligomerization. Host lipids play a critical role in modulating the oligomerization of matrix protein, revealing a mechanistic model for virion assembly. This study provides insights into targeting protein or lipid-protein interactions to inhibit virus budding.
JOURNAL OF BIOLOGICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Rajendra P. Koirala, Rudramani Pokhrel, Prabin Baral, Purushottam B. Tiwari, Prem P. Chapagain, Narayan P. Adhikari
Summary: This study focuses on modeling the catalytic states of AGT-DNA interactions and exploring structural features through molecular dynamics simulations. The umbrella sampling method was used to investigate changes in free energy in two different AGT-DNA catalytic states. Understanding the recognition, complex formation, and separation of AGT and damaged DNA can lead to insights in DNA repair mechanisms and cancer therapeutic approaches targeting AGT-DNA complexes.
BIOLOGICAL CHEMISTRY
(2021)
Correction
Chemistry, Medicinal
Purushottam B. Tiwari, Prem P. Chapagain, Ahmed Seddek, Thirunavukkarasu Annamalai, Aykut uren, Yuk-Ching Tse-Dinh
Article
Chemistry, Physical
Nisha Bhattarai, Prabin Baral, Bernard S. Gerstman, Prem P. Chapagain
Summary: The ongoing novel coronavirus pandemic has led to new variants like B.1.1.7 and B.1.351, which show increased transmissibility and infectivity. Molecular dynamics simulations revealed rearranged hydrogen bond networks and new bonds between the virus spike protein RBD and host receptor ACE2 due to mutations. The B.1.351 variant exhibited higher flexibility in the RBD loop segment, but the RBD-ACE2 complex showed greater stability, which could contribute to increased infectivity of the mutated variants.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Biochemistry & Molecular Biology
Nisha Bhattarai, Elumalai Pavadai, Rudramani Pokhrel, Prabin Baral, Md Lokman Hossen, Robert V. Stahelin, Prem P. Chapagain, Bernard S. Gerstman
Summary: The study investigates the molecular details of how EBOV VP40 binds with Sec24c protein, suggesting that VP40 may utilize the COPII transport mechanism without needing the Sec23 protein for transportation to the plasma membrane.
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
(2022)
Article
Virology
Kristen A. Johnson, Nisha Bhattarai, Melissa R. Budicini, Carolyn M. LaBonia, Sarah Catherine B. Baker, Bernard S. Gerstman, Prem P. Chapagain, Robert Stahelin
Summary: The study revealed that mutations of two highly conserved cysteine residues in VP40 can increase its affinity for membranes containing phosphatidylserine (PS), resulting in the assembly of longer virus-like particles (VLPs). These cysteine residues play a crucial role in modulating the dynamic interactions of VP40 with the plasma membrane by affecting its ability to bind PS.
Article
Biochemistry & Molecular Biology
Prabin Baral, Nisha Bhattarai, Md Lokman Hossen, Vitalii Stebliankin, Bernard S. Gerstman, Giri Narasimhan, Prem P. Chapagain
Summary: The surges of the more infectious Delta variant have intensified the health crisis, but current vaccines offer protection against it. However, the Delta variant can evade the immune system to some extent by reducing the receptivity of neutralizing antibodies.
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
(2021)
Article
Virology
Janelle Nunez-Castilla, Vitalii Stebliankin, Prabin Baral, Christian A. Balbin, Masrur Sobhan, Trevor Cickovski, Ananda Mohan Mondal, Giri Narasimhan, Prem Chapagain, Kalai Mathee, Jessica Siltberg-Liberles
Summary: Molecular mimicry between viral antigens and host proteins can lead to autoimmunity and COVID-19 complications. By using computational methods, we identified molecular mimicry hotspots in the SARS-CoV-2 Spike protein. Cross-reactivity between Spike and thrombopoietin may induce thrombocytopenia, while cross-reactivity with PRKG1 and tropomyosin may cause blood-clotting disorders and cardiac disease, respectively, in COVID-19 patients.
Article
Biochemistry & Molecular Biology
Tej Sharma, Bernard Gerstman, Prem Chapagain
Summary: The XBB.1.5 and XBB.1.16 subvariants of the SARS-CoV-2 omicron have structural changes that make it easier for the spike protein to bind to the ACE2 receptor. These mutations enhance the interaction between the receptor-binding domain and ACE2, and they also alter antibody-binding sites, potentially reducing the effectiveness of primary RBD-specific antibodies.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Meeting Abstract
Biophysics
Nisha Bhattarai, Bernard Gerstman, Prem P. Chapagain
BIOPHYSICAL JOURNAL
(2021)