Article
Chemistry, Physical
D. Aristoff, J. Copperman, G. Simpson, R. J. Webber, D. M. Zuckerman
Summary: The weighted ensemble (WE) method, an enhanced sampling approach, has gained popularity in computational biochemistry due to improved hardware, software, and algorithmic advancements. Recent results have led to greater computational efficiency, particularly through variance reduction approaches for managing trajectories in systems of any dimensionality.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Review
Chemistry, Multidisciplinary
Showkat Rashid, Yusuke Yoshigoe, Shinichi Saito
Summary: Advancements in mechanically interlocked molecular systems (MIMs) have reshaped the landscape of material chemistry and provided opportunities for exploring new applications and creating diversity. Among these molecular entities, rotaxanes have gained special attention in the field of supramolecular chemistry. This review aims to document the contemporary developments in the synthesis and applications of phenanthroline (phen) based rotaxanes.
Review
Microbiology
Eric Dannaoui
Summary: Mucormycosis is a serious infection disease, showing an increased incidence in India, especially during the COVID-19 epidemic. Diagnosis is challenging but crucial for optimal management. Mucorales qPCR is considered a promising diagnostic tool.
Review
Chemistry, Organic
Ishfaq Ahmad Rather, Rashid Ali, Ayaaz Ali
Summary: In recent years, the non-aromatic macrocyclic skeleton calix[4]pyrrole (C4P) has made significant advancements in the fields of molecular recognition and self-assembly in supramolecular chemistry. It has been widely used in a variety of applications, such as ion/ion-pair or neutral molecule binding/sensing, polymers, catalysis, drug delivery, etc. This article aims to compile the recent developments in C4P-based supramolecular systems, providing a valuable guide for researchers in this field.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Review
Chemistry, Organic
Ishfaq Ahmad Rather, Rashid Ali, Ayaaz Ali
Summary: The design and development of diverse functional systems in recent years have achieved significant milestones in the molecular recognition and self-assembly aspects of supramolecular chemistry. The non-aromatic macrocyclic skeleton calix[4]pyrrole (C4P) has been widely utilized in various applications, such as ion/ion-pair or neutral molecule binding/sensing, polymers, catalysis, drug delivery, pharmacology, ion transport, molecular machines/switches, and adsorption. This article aims to compile recent advancements in C4P-based supramolecular systems, providing a valuable guide for researchers in this field.
ORGANIC CHEMISTRY FRONTIERS
(2022)
Article
Chemistry, Multidisciplinary
Manuraj Mohan, Nagaraj P. Shetti, Tejraj M. Aminabhavi
Summary: Miniaturization of electronic devices is increasingly common in the modern world. Development of flexible energy storage devices, particularly flexible supercapacitors using MoS2, has gained attention due to their superior performance and potential applications in various technologies. This review discusses recent applications, scope, and the development of MoS2-based flexible supercapacitors in composite forms with other materials, as well as self-standing devices that can generate and store energy.
MATERIALS TODAY CHEMISTRY
(2023)
Review
Biochemistry & Molecular Biology
Johan L. M. Bjoerkegren, Aldons J. Lusis
Summary: This article reviews the current understanding of the molecular, cellular, genetic, and environmental contributions to atherosclerosis and highlights recent developments and unexpected biological findings, such as the heterogeneity of inflammatory and smooth muscle cells in lesions, the roles of senescence and clonal hematopoiesis, and the links to the gut microbiome.
Article
Biochemistry & Molecular Biology
Shanaika J. Devadiga, Sonali S. Bharate
Summary: Huntington's disease is a rare and incurable neurodegenerative disorder. There are only two FDA-approved drugs for managing the symptoms associated with Huntington's disease, while other drugs are used off-label. Currently, drug repurposing and various clinical studies are being conducted to find new treatments for Huntington's disease.
BIOORGANIC CHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
Yan Lin, Harley Betts, Sarah Keller, Kevin Cariou, Gilles Gasser
Summary: This review explores the potential of metal-based antifungal agents in improving bioavailability and treating fungal infections by combining organic moieties with metal ions. Additionally, coordination of metal ions can expand the library of antifungal drugs available, providing more treatment options for medical professionals.
CHEMICAL SOCIETY REVIEWS
(2021)
Review
Medicine, Research & Experimental
Lennart Bohrmann, Tobias Burghardt, Charles Haynes, Katayoun Saatchi, Urs O. Hafeli
Summary: Aptamers are single stranded oligonucleotides that can recognize a variety of molecular targets with high specificity and affinity. They have been increasingly used to create targeted probes for in vivo molecular imaging and therapy, covering major imaging modalities such as nuclear imaging, magnetic resonance imaging, x-ray computed tomography, echography, fluorescence imaging, as well as newer modalities like surface enhanced Raman spectroscopy.
Review
Chemistry, Medicinal
Asiyeh Jebelli, Behzad Baradaran, Jafar Mosafer, Amir Baghbanzadeh, Ahad Mokhtarzadeh, Lobat Tayebi
Summary: Colorectal cancer is a challenging and heterogeneous cancer that cannot be effectively overcome by common conventional therapies. Research indicates that RNA interference could be an important avenue to generate great therapeutic efficacy for CRC. Targeting CRC tumor-related genes with small interfering RNAs and short hairpin RNAs can bring benefits, and the synergistic effects of RNAi with inhibitors/chemotherapy agents can increase the sensitivity of CRC cells to common therapies.
MEDICINAL RESEARCH REVIEWS
(2021)
Article
Chemistry, Physical
Daniel Mejia-Rodriguez, Edoardo Apra, Jochen Autschbach, Nicholas P. Bauman, Eric J. Bylaska, Niranjan Govind, Jeff R. Hammond, Karol Kowalski, Alexander Kunitsa, Ajay Panyala, Bo Peng, John J. Rehr, Huajing Song, Sergei Tretiak, Marat Valiev, Fernando D. Vila
Summary: This paper provides an overview of the recent developments in the NWChem computational chemistry suite, including the functionality in the current stable release (NWChem 7.2.0) and the ongoing developments in the master development branch. It highlights the interfaces to quantum computing simulators, external libraries, the NWChem github repository, and containerization of NWChem executable images.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Review
Chemistry, Applied
Farid Ahmed, Hai Xiong
Summary: This review summarizes the latest developments in chemosensors based on click generated triazoles for a range of metal cations, anions, and neutral analytes, highlighting the need for continuous research accumulation in this rapidly growing field to meet demand.
Article
Biochemistry & Molecular Biology
Irwin K. Cheah, Barry Halliwell
Summary: There has been a recent surge of interest in the unique low molecular weight dietary thiol/thione, ergothioneine, which can accumulate at high levels in the body from diet and may play important physiological roles in human health and development. Blood levels of ergothioneine decline with age and onset of various diseases. Recent advances have been made in our knowledge of ergothioneine.
Review
Chemistry, Multidisciplinary
Hao Wang, Hari Krishna Bisoyi, Xinfang Zhang, Fathy Hassan, Quan Li
Summary: Inspired by human vision, visible light-driven molecular switches and motors have been developed to avoid the harmful effects of ultraviolet light. These compounds have been used in the development of functional materials and systems for various applications.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Review
Chemistry, Multidisciplinary
Hai-Hao Han, Han-Min Wang, Paramesh Jangili, Mingle Li, Luling Wu, Yi Zang, Adam C. Sedgwick, Jia Li, Xiao-Peng He, Tony D. James, Jong Seung Kim
Summary: Cancer is a major global health problem, with millions of people diagnosed each year. Current chemotherapy options lack selectivity for cancer cells, are prone to resistance, and have toxicities. Researchers have focused on developing prodrug-based strategies to overcome these limitations. This review discusses recently developed prodrug strategies for cancer therapy and highlights the importance of targeting specific biomarkers in the tumor microenvironment and overexpressed in cancer cells. The advantages and limitations of each approach are also discussed.
CHEMICAL SOCIETY REVIEWS
(2023)
Review
Chemistry, Inorganic & Nuclear
Zhiqiang Mao, Ji Hyeon Kim, Jieun Lee, Hao Xiong, Fan Zhang, Jong Seung Kim
Summary: In recent years, BODIPY-based theranostics have been increasingly utilized in cancer therapy with remarkable success. By modifying the chemical structure, the optical imaging and phototherapy properties of BODIPY-based dyes can be well-balanced and tailored. Additionally, molecular/nanoparticle engineering allows versatile functionalities and improved tumor-targeting ability, enhancing the therapeutic efficacy and minimizing side effects. This review focuses on the applications of BODIPY-based theranostics in tumor therapy, including fluorescence-guided chemotherapy, photodynamic therapy, photothermal therapy, and multi-modal imaging-guided therapies.
COORDINATION CHEMISTRY REVIEWS
(2023)
Review
Chemistry, Inorganic & Nuclear
Xiaorui Shi, Miae Won, Chu Tang, Qihang Ding, Amit Sharma, Fu Wang, Jong Seung Kim
Summary: The RNA splicing process is essential for gene expression, and monitoring and controlling it can help repair mutant genes and treat diseases. However, the lack of appropriate tools hampers the understanding of splicing regulation.
COORDINATION CHEMISTRY REVIEWS
(2023)
Review
Oncology
Zhe Yang, Di Gao, Jing Zhao, Gaojie Yang, Ming Guo, Ying Wang, Xuechun Ren, Jong Seung Kim, Lin Jin, Zhongmin Tian, Xingcai Zhang
Summary: Immunotherapy has revolutionized cancer treatment, but promoting antitumour immunity in patients with resistant tumours remains a challenge. Thermal therapies offer a promising approach by reprogramming the tumour microenvironment and promoting immune cell recruitment. This review summarizes the role of thermal therapies in combination with immunotherapies, as well as the development of thermal immuno-nanomedicines for cancer treatment.
NATURE REVIEWS CLINICAL ONCOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Yuling Xu, Chonglu Li, Jusung An, Xin Ma, Jingfang Yang, Lishi Luo, Yun Deng, Jong Seung Kim, Yao Sun
Summary: Researchers synthesized a novel Pt(II) metallacycle (Pt1110) that can be activated with a 980 nm laser for photodiagnosis/treatment in deep tissue. Pt1110 showed significantly improved photothermal conversion and O-1(2) generation compared to the ligand itself 1, and it was capable of light-induced sterilization under safe laser irradiation. Pt1110 also had little to no toxicity to cells. When incorporated into liposomes, Pt1110 NPs effectively promoted wound healing in infection and keratitis models upon laser irradiation, observed by NIR-II fluorescence imaging. This novel metal-coordinated supramolecular material has the potential to be a universal platform for phototherapy in deep tissue.
SCIENCE CHINA-CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Seong Yeol Kim, Ramar Thangam, Nayeon Kang, Hyunsik Hong, Chowon Kim, Sungkyu Lee, Subin Son, Hyun-Jeong Lee, Kyong-Ryol Tag, Sunhong Min, Daun Jeong, Jangsun Hwang, Kanghyeon Kim, Dahee Kim, Yuri Kim, Jinmyoung Joo, Bong Hoon Kim, Yangzhi Zhu, Sung-Gyu Park, Hyun-Cheol Song, Wujin Sun, Jae-Pyoung Ahn, Woo Young Jang, Ramasamy Paulmurugan, Hong-Kyu Kim, Jong Seung Kim, Heemin Kang
Summary: In this study, the linking molecule-mediated conjugation of 1D magnetic nanocylinders (MNCs) to material surfaces pre-decorated with gold nanospheres (GNSs) was performed to establish a non-bridging state for RGD-coated MNCs (RGD-MNCs) over RGD-coated GNSs (RGD-GNSs). The use of magnetic field-mediated compression of the linking molecules enabled bridging between RGD-MNCs and RGD-GNSs. The optimized proportion of RGD-MNCs to RGD-GNSs allowed for effective remote stimulation of integrin binding and modulation of macrophages for immunomodulatory responses.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Moyi Liu, Yunli Luo, Junyu Yan, Xiaolin Xiong, Xiwen Xing, Jong Seung Kim, Taotao Zou
Summary: Boronic acid (or ester) is commonly used in the development of anticancer prodrugs, but their application is hindered by low activation efficiency. In this study, a photoactivation approach was developed to convert the boronic acid-caged iridium complex into a bioactive form under hypoxic tumor microenvironments. The mechanism involves the photo-oxidation of phenyl boronate anion to generate a highly reactive phenyl radical, which can capture O2 even at low concentrations. This photoactivation approach shows potent antitumor activities in various experimental models. It can also be extended to activate prodrugs of other anticancer compounds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Minsu Park, Kyoung Sunwoo, Yoon-Jae Kim, Miae Won, Yunjie Xu, Jaewon Kim, Zhongji Pu, Mingle Li, Ji Young Kim, Jae Hong Seo, Jong Seung Kim
Summary: A study introduces a new method to selectively eliminate cancer stem cells by cutting off proton leaks on the inner mitochondrial membrane. A molecule channel blocker called Bo-Mt-Ge, derived from Gardenia jasminoides fruit extract, is developed. This study also identifies the mitochondrial uncoupling protein UCP2 as being closely correlated with the stemness of cancer stem cells, providing a new perspective for drug discovery targeting these cells.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
News Item
Chemistry, Multidisciplinary
Yunjie Xu, Jong Seung Kim, Mingle Li
Review
Chemistry, Multidisciplinary
Siyue Ma, Ji Hyeon Kim, Wei Chen, Lu Li, Jieun Lee, Junlian Xue, Yuxia Liu, Guang Chen, Bo Tang, Wei Tao, Jong Seung Kim
Summary: Targeted fluorescent prodrugs that efficiently accumulate in tumor cells in different organs have shown great potential in improving drug targeting efficacy for tumor therapy. In this review, the development of innovative targeted fluorescent prodrugs for lung cancer, liver cancer, cervical cancer, breast cancer, glioma, and colorectal cancer is highlighted. The latest progress in chemical design and synthetic considerations, as well as the activation of therapeutic efficacy and fluorescence by tumor-specific stimuli, are reviewed. Furthermore, novel perspectives on engineered nanoparticle platforms and their use in monitoring the delivery of therapeutic agents in preclinical models are provided.
Review
Chemistry, Multidisciplinary
Zhiqiang Mao, Hyeonji Rha, Jungryun Kim, Xinru You, Fan Zhang, Wei Tao, Jong Seung Kim
Summary: Near-infrared fluorescence imaging is crucial for studying the biological world. However, the short emissions and small Stokes shifts of current xanthene dyes have limited their biological applications. A new technique involving THQ structural modification has been developed, which allows for longer emission wavelengths and larger Stokes shifts in THQ-modified xanthene dyes. This opens up possibilities for various applications of THQ-xanthene in fluorescence probe-based sensing and imaging, cancer theranostics, and super-resolution imaging.
Article
Engineering, Biomedical
Zehra Zunbul, Jusung An, Hira Aziz, Jinwoo Shin, Sungsu Lim, Le Yu, Yun Kyung Kim, Jong Seung Kim
Summary: Fluorescence imaging of amyloid beta (A beta) polypeptide using a small-molecule fluorophore is a practical system for Alzheimer's disease (AD) diagnosis. A molecular designing strategy for a new fluorogenic probe is suggested, with redshifted fluorescence emission wavelength and optimized binding affinities for A beta fibrils. Thioflavin T (ThT)-derived fluorescent dyes are developed by adjusting the hydrophobicity of electron donor moiety, resulting in significantly sensitive fluorogenic probes for bioimaging in AD.
ADVANCED NANOBIOMED RESEARCH
(2023)
Review
Chemistry, Multidisciplinary
Nayeon Kang, Subin Son, Sunhong Min, Hyunsik Hong, Chowon Kim, Jusung An, Jong Seung Kim, Heemin Kang
Summary: Ferroptosis, an iron-dependent programmed cell death mechanism, can be regulated by intracellular iron supplementation and glutathione synthesis inhibition. Utilizing various endogenous and exogenous stimuli, such as tumor microenvironment conditions and external energy sources, can provide precise control and controllability for ferroptosis-based cancer therapy. The utilization of dual stimuli provides a new direction for efficient cancer therapy.
CHEMICAL SOCIETY REVIEWS
(2023)
Review
Materials Science, Biomaterials
Le Tu, Qian Li, Sheng Qiu, Meiqin Li, Jinwoo Shin, Pan Wu, Nem Singh, Junrong Li, Qihang Ding, Cong Hu, Xiaoxing Xiong, Yao Sun, Jong Seung Kim
Summary: This review article provides an overview of the recent development of carbon dots (CDs) in biomedical research. It highlights the crucial applications of CDs in biosensing, bioimaging, cancer therapy, and antibacterial applications. The challenges and future potential of CD-based biomedicine are also emphasized, enriching biomedical researchers' knowledge about the potential of CDs and the need for overcoming technical obstacles.
JOURNAL OF MATERIALS CHEMISTRY B
(2023)
Article
Chemistry, Multidisciplinary
Minhyeok Choi, Nem Singh, Subin Son, Ji Hyeon Kim, Minjung Kang, Su Hong Park, Dong Hoon Choi, Chang Seop Hong, Jong Seung Kim
Summary: The discharge of chemicals and textile waste into industrial effluents significantly pollutes water, making it unbearable for humans and other organisms. Conventional water treatment processes are efficient in degrading stable organic dye molecules. However, there is a continuous demand for sustainable technology to degrade toxic organic pollutants. In this study, a porphyrin-based porous organic polymer (PNP) modified with platinum clusters (Pt@PNP) was developed to enhance the photocatalytic degradation of toxic organic dyes in water. This modified catalyst effectively decomposed carcinogenic organic dyes by generating reactive oxygen species (ROS) under mild light irradiation, and it showed high efficiency and recyclability.
MATERIALS CHEMISTRY FRONTIERS
(2023)
Review
Chemistry, Multidisciplinary
Yikuan Liu, Xiaona Liu, An Su, Chengtao Gong, Shenwei Chen, Liwei Xia, Chengwei Zhang, Xiaohuan Tao, Yue Li, Yonghe Li, Tulai Sun, Mengru Bu, Wei Shao, Jia Zhao, Xiaonian Li, Yongwu Peng, Peng Guo, Yu Han, Yihan Zhu
Summary: Covalent organic frameworks are crystalline porous materials with designable structures and functions, which can acquire multifunctionalities and have versatile applications in gas separation/storage, catalysis, and optoelectronic devices.
CHEMICAL SOCIETY REVIEWS
(2024)
Review
Chemistry, Multidisciplinary
Heyang Zhang, Jo Vandesompele, Kevin Braeckmans, Stefaan C. De Smedt, Katrien Remaut
Summary: Gene therapy has the potential to revolutionize the treatment of inherited and acquired diseases, but its success rate is currently limited. This review focuses on the obstacles faced by gene therapies in the human body, such as nucleic acid degradation by abundant nucleases, and discusses strategies to reduce degradation and methods to assess nucleic acid integrity.
CHEMICAL SOCIETY REVIEWS
(2024)
Review
Chemistry, Multidisciplinary
Chenxi Duan, Chunming Cui
Summary: Low valent group 14 compounds with diazaborolyl substituents exhibit unique structures and reactivity due to the combination of sigma-electron donation and steric hindrance. The modulation of the HOMO-LUMO gap by the diazaborolyl substituents results in novel reaction patterns in the activation of small molecules and inert chemical bonds.
CHEMICAL SOCIETY REVIEWS
(2024)
Review
Chemistry, Multidisciplinary
David E. Salazar Marcano, Nada D. Savic, Kilian Declerck, Shorok A. M. Abdelhameed, Tatjana N. Parac-Vogt
Summary: Metal-oxo clusters have great potential in various fields and can react with biomolecules, making them promising for applications in disease treatment and energy development. They can also be used in the development of inorganic drugs and bioanalytical tools.
CHEMICAL SOCIETY REVIEWS
(2024)
Review
Chemistry, Multidisciplinary
Lana K. Moree, Logan A. V. Faulkner, James D. Crowley
Summary: In this tutorial review, the general methods for synthesizing heterometallic metallosupramolecular architectures (MSAs), specifically heterometallic cages, are examined. The intrinsic properties and potential applications of these cages as host-guest systems and reaction catalysts are discussed.
CHEMICAL SOCIETY REVIEWS
(2024)