Article
Multidisciplinary Sciences
Jiao Luo, Xiujun Tan, Ling Ye, Chenglin Wang
Summary: The study reveals that the JNK signaling pathway plays a positive role in the formation of dental papilla cell polarity, as indicated by the up-regulation of polarity-related genes and rescue effects of RhoA Q63L mutant. JNK activation is linked to polarization, migration, and differentiation of dental papilla cells, highlighting its importance in tooth development.
Article
Biochemistry & Molecular Biology
Igor A. Schepetkin, Oleksander S. Karpenko, Anastasia R. Kovrizhina, Liliya N. Kirpotina, Andrei I. Khlebnikov, Stepan I. Chekal, Alevtyna V. Radudik, Maryna O. Shybinska, Mark T. Quinn
Summary: The JNK family, including JNK1-3 proteins, regulates various physiological processes. The study aimed to find JNK inhibitors with high selectivity for JNK3. 26 new tryptanthrin-6-oxime analogs were synthesized and evaluated, and compounds 4d and 4e showed high selectivity for JNK3 and inhibited inflammatory responses. The results suggest the potential for developing anti-inflammatory drugs with selectivity for JNK3.
Article
Biochemistry & Molecular Biology
Serhii A. Liakhov, Igor A. Schepetkin, Olexander S. Karpenko, Hanna Duma, Nadiia M. Haidarzhy, Liliya N. Kirpotina, Anastasia R. Kovrizhina, Andrei Khlebnikov, Irina Y. Bagryanskaya, Mark T. Quinn
Summary: In this study, 13 derivatives of a JNK inhibitor were synthesized, with 8 compounds showing submicromolar binding affinity for at least one JNK isoform, and most of them exhibiting anti-inflammatory effects. Selected compounds also directly confirmed JNK inhibition, indicating their potential as lead compounds for anti-inflammatory drug development.
Article
Chemistry, Multidisciplinary
Jiajun Qi, Yuna Kim, Kiyonori Takahashi, Ken'ichi Aoki, Ichiro Hisaki, Takayoshi Nakamura, Nobuyuki Tamaoki
Summary: The study showed that mechanoresponsive bisamide substituted diacetylenes can switch between light-inert and light-reactive states under certain pressure, related to pressure-induced crystalline phase transition. The research found that the odd/even parity of terminal alkyl spacer length plays a key role in determining the intrinsic intermolecular hydrogen-bonding nature of DA crystals and the resultant molecular packing.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Qianglong Lv, Cunbin An, Tao Zhang, Jianqi Zhang, Shaoqing Zhang, Pengxin Zhou, Chang He, Jianhui Hou
Summary: Three small-molecule donors were designed and synthesized with different terminal alkyl chains, affecting their crystallinity and phase-separation morphology in blend films. Among them, BPF3T-C6 showed the best performance with a power conversion efficiency of 15.1%.
SCIENCE CHINA-CHEMISTRY
(2021)
Article
Pharmacology & Pharmacy
Igor A. Schepetkin, Anastasia R. Kovrizhina, Ksenia S. Stankevich, Andrei I. Khlebnikov, Liliya N. Kirpotina, Mark T. Quinn, Matthew J. Cook
Summary: This study synthesized a panel of novel tryptanthrin oxime analogs and evaluated their binding affinity to JNK1-3 and inhibition of cellular inflammatory responses. Compound 1j exhibited high binding affinity to JNK1-3 and demonstrated anti-inflammatory activity by inhibiting the production of multiple proinflammatory cytokines. Molecular modeling confirmed the binding mode of 1j to JNK3.
FRONTIERS IN PHARMACOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Wee Li Mah, Xiu Jun Tan, Kar Bee Choo, Shiaw Xian Lee, Kong Wai Tan, Keng Yoon Yeong, Sui Mae Lee, Yuen Lin Cheow
Summary: This study synthesized a series of pyridine-functionalized (benz)imidazolium salts and found that some of the compounds exhibited good antimicrobial and anticancer properties. The use of microwave irradiation significantly reduced the reaction time.
Article
Materials Science, Multidisciplinary
Bin Chen, Qian Wang, Bingbing Wang, Wentao Miao, Guopeng Zhang, Yuan Zhou, Pengzhi Guo, Yangjun Xia
Summary: In this study, a high dielectric constant polymer PBTA-NO2 was synthesized by introducing p-nitrophenol-terminated alkyl side chain into the benzotriazole unit. PBTA-NO2 exhibited similar absorption spectra, lower energy levels, stronger aggregation characteristics, and higher dielectric constant compared to the controlled polymer PBTA-C10H21. Furthermore, when PBTA-NO2 was used as an additive in the active layer of PM6:Y6 based polymer solar cells, the power conversion efficiency was increased by 6% due to improved exciton dissociation and carrier transport.
Article
Fisheries
Ping Zhong, Zhongneng Xu, Wei Chen, Kai Peng, Yuping Sun, Xiaopeng Wu, Huiming Sun, Xiaoying Chen, Peng Luo, Chaozheng Li, Huo Li, Wen Huang
Summary: 9C-Jun NH2-terminal kinase (JNK)-interacting protein 4 (JIP4) is identified and characterized in Litopenaeus vannamei, serving as an essential component in organizing and linking the MAPK pathway. Lv-JIP4 is widely expressed in various tissues, with high levels in muscle, and plays a potential role in activating and phosphorylating Lv-p38(MAPK) in response to low-temperature stress.
AQUACULTURE REPORTS
(2021)
Article
Polymer Science
Chun-Xian Ke, Xue Lai, Heng-Tao Wang, Ming-Rui Pu, Tahir Rehman, Yu-Lin Zhu, Feng He
Summary: It was found that the selection of appropriate substituents has a significant impact on the physical properties, electro-optical characteristics, and active layer morphology of conjugated polymers. In this study, three D-pi-A donor polymers with different alkyl substitutions on thiophene pi-bridges were synthesized and compared. It was observed that the absence of alkyl chain and the presence of a bulky alkyl chain led to poor photovoltaic performance. On the other hand, polymers with flexible linear alkyl chains showed enhanced photovoltaic performance.
CHINESE JOURNAL OF POLYMER SCIENCE
(2022)
Article
Chemistry, Physical
Sara Ilyas, Aamer Saeed, Qamar Abbas, Rabail Ujan, Pervaiz Ali Channar, Izhar Ahmed Shaikh, Mubashir Hassan, Hussain Raza, Sung-Yum Seo, Gustavo A. Echeverria, Oscar E. Piro, Mauricio F. Erben
Summary: A series of closely related biphenyl-thiourea conjugates with aromatic and aliphatic side chains were synthesized using a one-pot three-component strategy. In vitro studies showed compound 3c exhibited the highest inhibition against elastase, highlighting the importance of aryl substituents over alkyl chains in enhancing enzyme inhibitory activity. Molecular docking results revealed compound 3c exhibited the highest binding energy compared to other compounds, suggesting its potential as a new elastase inhibitor.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Veterinary Sciences
Qiushi LI, Xuying Liu, Ruixian Xing, Rubo Sui
Summary: This study reveals that TMED10 is highly expressed in cerebral ischemic penumbra and plays a protective role in ischemic stroke and cognitive impairment by inhibiting mitochondrial damage and apoptosis in neurons. TMED10 reduction induces neuronal apoptosis and mitochondrial damage through activating the JNK pathway. Additionally, TMED10 knockdown increases cerebral infarction area, aggravates neuronal injury, and promotes cognitive impairment.
EXPERIMENTAL ANIMALS
(2023)
Article
Chemistry, Multidisciplinary
Siti Norhazwani Ismail, Guan-Yeow Yeap, Arwa Alshargabi, Son Cherin, Masato M. Ito, Kodai Kikuchi, Ryo Fukaya, Kazuyoshi Kaneko, Akio Shimizu
Summary: A series of bent-shaped liquid crystals containing a triazole ring were synthesized and characterized. The study showed that the length of the alkyl chain influenced the mesophase and clearing temperatures, and the presence of SmA phase was more favorable for compounds with longer alkyl chains. Computational calculations further supported the transition to SmA phase with increasing alkyl chain length.
Article
Biochemistry & Molecular Biology
Pei -Gee Yap, Chee-Yuen Gan
Summary: This study collected the sequences of 128 tyrosinase inhibitory peptides and analyzed their hydrophobicity/hydrophilicity properties and amino acid profiles. Molecular docking analysis was used to investigate the binding interactions between peptides and tyrosinase. The study found that hydrophobic and/or polar neutral properties facilitate or stabilize peptide binding with tyrosinase, and short peptides with cysteine and tyrosine tend to bind to the active site of tyrosinase. These findings provide detailed explanations for the relationship between peptide/amino acid structures and tyrosinase inhibition, as well as potential anti-melanogenesis mechanisms for peptide-based treatments against skin hyperpigmentation.
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
(2024)
Article
Oncology
Yaofeng Xu, Yuguo Gu, Wanbo Ji, Qirong Dong
Summary: The study explored the activation of ERK and JNK signaling pathway and osteogenesis-related factors in knee osteoarthritis patients. The levels of P-JNK, P-ERK, and OMD were significantly altered in the subchondral bone of knee arthritis participants, as well as in the model group of mice. Treatment with anisomycin showed varying effects on osteoblasts, influencing OMD and OCN levels.
ANNALS OF TRANSLATIONAL MEDICINE
(2021)
Article
Chemistry, Multidisciplinary
Poonam Gupta, Suryanarayana Allu, Durga Prasad Karothu, Tamas Panda, Naba K. Nath
Summary: The shift in interest from crystal structure to mechanical property among crystal engineering researchers has led to a better understanding of molecular packing, intermolecular interactions, and mechanical behavior. It has been observed that certain molecular crystals exhibit both elastic and plastic flexibility, attributed to the presence of flexible pi interactions and slip systems, while benzamide crystals are found to be brittle materials. This highlights the impact of molecular packing and intermolecular interactions on the mechanical properties of solid crystalline materials under stress.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Multidisciplinary Sciences
Durga Prasad Karothu, Ghada Dushaq, Ejaz Ahmed, Luca Catalano, Srujana Polavaram, Rodrigo Ferreira, Liang Li, Sharmarke Mohamed, Mahmoud Rasras, Pance Naumov
Summary: Organic crystals, such as single crystals of the amino acid L-threonine, show high mechanical and thermal robustness, making them suitable as optical waveguides and filters for transduction of signals in the telecommunications range. These crystals have high Young's modulus and hardness, indicating potential for use as all-organic fiber-optic waveguides and filters.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Jada Ravi, Avulu Vinod Kumar, Durga Prasad Karothu, Mari Annadhasan, Pance Naumov, Rajadurai Chandrasekar
Summary: This study describes the construction of silicon-free, all-organic photonic integrated circuits by micromanipulation of two mechanically different organic crystals with complementary optical properties. The results show the infinite structural variations in optical microstructures that can be achieved using organic crystals, highlighting the untapped potential for lightweight all-organic optical minicircuitry with deformable light-transducive crystals.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Review
Chemistry, Multidisciplinary
Peter R. Spackman, Arnaud Grosjean, Sajesh P. Thomas, Durga Prasad Karothu, Pance Naumov, Mark A. Spackman
Summary: This review provides a critical and comprehensive overview of experimental measurements of complete elastic constant tensors for molecular crystals, comparing them with calculations from different methods. The comparisons identify outliers and aim to stimulate further research correlating mechanical properties with crystal structure.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Review
Chemistry, Multidisciplinary
Durga Prasad Karothu, Jad Mahmoud Halabi, Ejaz Ahmed, Rodrigo Ferreira, Peter R. Spackman, Mark A. Spackman, Pance Naumov
Summary: This paper summarizes the mechanical properties of organic crystals over the past three decades and establishes a global mechanical property profile. Organic crystals occupy a specific region in the mechanical property-density space and can be used to predict and identify mechanically robust organic crystal materials.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Ejaz Ahmed, Durga Prasad Karothu, Ahmed Slimani, Jad Mahmoud Halabi, Ibrahim Tahir, Kevin Quiros Canales, Pance Naumov
Summary: This study reports the remarkably rapid lattice switching of molecular martensitic materials, which exceeds other phase transitions by several orders of magnitude. These materials have the advantages of rapid response and lightweight, making them prospective substitutes for ultrafast and clean energy transduction.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Marieh B. Al-Handawi, Ghada Dushaq, Patrick Commins, Durga Prasad Karothu, Mahmoud Rasras, Luca Catalano, Pance Naumov
Summary: This study reports the autonomous self-healing capability of centimeter-size single crystals of methylammonium lead(II) iodide (MAPbI(3)) at ambient temperature, with remarkable recovery of their optoelectronic properties. This discovery overcomes the challenges of chemical stability and mechanical robustness, providing a new strategy for the development of durable and stable optoelectronic devices based on single crystals of hybrid perovskites.
ADVANCED MATERIALS
(2022)
Article
Multidisciplinary Sciences
Durga Prasad Karothu, Rodrigo Ferreira, Ghada Dushaq, Ejaz Ahmed, Luca Catalano, Jad Mahmoud Halabi, Zainab Alhaddad, Ibrahim Tahir, Liang Li, Sharmarke Mohamed, Mahmoud Rasras, Pance Naumov
Summary: This study reports on an organic actuating material with exceptionally large stroke that can convert energy into work at room temperature. The material outperforms electric cylinders, ceramic piezoactuators, and electrostatic actuators in terms of maximum force density and has work capacity comparable to thermal actuators. The study demonstrates the untapped potential of ionic organic crystals for various applications.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Jad Mahmoud Halabi, Isabelle Seguy, Ludovic Salvagnac, Thierry Leichle, Daisuke Saya, Fabrice Mathieu, Benjamin Duployer, Durga Prasad Karothu, Liviu Nicu, Pance Naumov
Summary: This study proposes a method of using dynamic molecular crystals driven by thermosalient phase transitions as alternative materials in MEMS technology, with swift and amplified mechanical response. By preparing a thermally stable polycrystalline thin film and undergoing reversible and cyclable martensitic phase transitions, the challenges of applying dynamic molecular crystals are addressed.
CELL REPORTS PHYSICAL SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Durga Prasad Karothu, Zainab Alhaddad, Christian R. Goeb, Christian J. Schuermann, Robert Buecker, Pance Naumov
Summary: In this study, the crystal structure of Levocetirizine dihydrochloride was determined directly from crystalline powders extracted from commercially available tablets using 3D electron diffraction (3D ED)/MicroED technique. The results highlight the immense potential of 3D ED/MicroED for structure elucidation of components of microcrystalline mixtures, eliminating the need for growing large-size single crystals and using complementary analytical techniques, which is important for identification and primary structural characterization.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Anton V. Savchenkov, Ejaz Ahmed, Durga Prasad Karothu, Pance Naumov
Summary: The study found no definite correlation between noncovalent interactions in crystals and their elastic or plastic properties. All studied crystals contained numerous hydrogen bonds, contributing to a significant portion (ranging from 10% to 75%, with an average of approximately 42%) of the overall noncovalent interactions. Several outliers were identified, which were attributed to unusual noncovalent contacts or erroneous crystal structures.
CRYSTAL GROWTH & DESIGN
(2023)
Review
Chemistry, Multidisciplinary
Wegood M. Awad, Daniel W. Davies, Daichi Kitagawa, Jad Mahmoud Halabi, Marieh B. Al-Handawi, Ibrahim Tahir, Fei Tong, Gonzalo Campillo-Alvarado, Alexander G. Shtukenberg, Tamador Alkhidir, Yuki Hagiwara, Mubarak Almehairbi, Linfeng Lan, Shodai Hasebe, Durga Prasad Karothu, Sharmarke Mohamed, Hideko Koshima, Seiya Kobatake, Ying Diao, Rajadurai Chandrasekar, Hongyu Zhang, Changquan Calvin Sun, Christopher Bardeen, Rabih O. Al-Kaysi, Bart Kahr, Pance Naumov
Summary: Molecular crystals have diverse physical properties and can be studied by responding to electric, magnetic, and light fields. The mechanical properties of molecular crystals enhance our understanding of weakly bound molecules under internal and external forces. The importance of mechanical properties to practical applications and the need for improvement in measurement techniques and conceptual tools are emphasized.
CHEMICAL SOCIETY REVIEWS
(2023)
Meeting Abstract
Chemistry, Multidisciplinary
Zeinab M. Saeed, Bhausaheb Dhokale, Abeer F. Shunnar, Durga Prasad Karothu, Pance Naumov, Hector H. Hernandez, Sharmarke Mohamed
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Meeting Abstract
Chemistry, Multidisciplinary
E. Ahmed, D. P. Karothu, M. Warren, P. Naumov
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Meeting Abstract
Chemistry, Multidisciplinary
Durga Prasad Karothu, Rodrigo Ferreira, Luca Catalano, Ghada Dushaq, Mahmoud Rasras, Pance Naumov
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Article
Chemistry, Organic
Faiza Diaba, Gisela Trenchs
Summary: The first violet light-mediated synthesis of gamma- and delta-lactams from N-alkenyl trichloroacetamides is reported in this paper. The reactions are conducted in tetrahydrofuran or 2-methyltetrahydrofuran as the sole solvent without catalysts or additives, under non-anhydrous conditions in an air atmosphere where the solvent serves as the radical initiator.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Feroze Hussain, Sajjad Ahmed, Ashiq Hussain Padder, Qazi Naveed Ahmed
Summary: This study reports a novel and efficient one-pot synthesis method for mixed phosphorotrithioates, which does not require supplementary additives and shows broad applicability.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Hyunjin Oh, Ikyon Kim
Summary: A new 1,2,4-triazole-pyrrolo[1,2-a]pyrazine hybrid system, 6-acylpyrrolo[1,2-a][1,2,4]triazolo[5,1-c]pyrazine, was synthesized using a catalyst-free method. This method involved sequential exposure of pyrrole-2-carbonitrile-derived substrates to DMF-DMA and acyl hydrazide, resulting in the formation of acylated pyrazine and 1,2,4-triazole rings, enabling the installation of various substituents at specific positions on the core skeleton.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Ming Yan, Si-fan Wang, Yong-po Zhang, Jin-zhong Zhao, Zhuo Tang, Guang-xun Li
Summary: Here we developed an efficient photocatalytic approach for the convenient preparation of sulfinamides. The reaction allows for the gram-scale preparation of sulfinamides and the one-pot synthesis of various sulfonyl amides.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Farzaneh Bandehali-Naeini, Zahra Tanbakouchian, Noushin Farajinia-Lehi, Nicolas Mayer, Morteza Shiri, Martin Breugst
Summary: Two tandem catalytic systems were developed for the synthesis of novel 3,4-disubstituted maleimides using the same Ugi adducts. Different maleimide structures can be synthesized using either Pd or Cu catalysis.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Article
Chemistry, Organic
Tanya Raghava, Anjan Chattopadhyay, Subhadeep Banerjee, Nivedita Sarkar
Summary: Amine substitution of two ortho fluorine atoms of tetrafluoroterephthalonitrile through SNAr chemistry is easily achievable. But further fluorine substitution is only possible under forcing conditions, yielding valuable fluorophores for bioimaging.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
Review
Chemistry, Organic
Anju Chadha, Santosh Kumar Padhi, Selvaraj Stella, Sowmyalakshmi Venkataraman, Thangavelu Saravanan
Summary: Alcohol dehydrogenases are enzymes that use cofactors for oxidation or reduction reactions of alcohols or carbonyl compounds. They are utilized in green chemistry and have applications in the production of pharmaceuticals. Recombinant enzymes have solved the challenge of producing purified enzymes in large quantities. Engineered alcohol dehydrogenases have been used in asymmetric synthesis in industry. Various methods have been established for regenerating expensive cofactors to make the enzymatic process more efficient and economically viable.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2024)
