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Cell-Free Synthesis: Expediting Biomanufacturing of Chemical and Biological Molecules Molecules (IF 4.6) Pub Date : 2024-04-20 So-Jeong Lee, Dong-Myung Kim
The increasing demand for sustainable alternatives underscores the critical need for a shift away from traditional hydrocarbon-dependent processes. In this landscape, biomanufacturing emerges as a compelling solution, offering a pathway to produce essential chemical materials with significantly reduced environmental impacts. By utilizing engineered microorganisms and biomass as raw materials, biomanufacturing
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Correction: Miranda et al. Anion Binding by Fluorescent Ureido-Hexahomotrioxacalix[3]arene Receptors: An NMR, Absorption and Emission Spectroscopic Study. Molecules 2022, 27, 3247 Molecules (IF 4.6) Pub Date : 2024-04-22 Alexandre S. Miranda, Paula M. Marcos, José R. Ascenso, Mário N. Berberan-Santos, Filipe Menezes
In the original publication [...]
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Based on HPLC and HS-GC-IMS Techniques, the Changes in the Internal Chemical Components of Schisandra chinensis (Turcz.) Baill. Fruit at Different Harvesting Periods Were Analyzed Molecules (IF 4.6) Pub Date : 2024-04-22 Bowei Sun, Yiping Yan, Mingjie Ma, Jinli Wen, Yanli He, Yining Sun, Pengqiang Yuan, Peilei Xu, Yiming Yang, Zihao Zhao, Li Cao, Wenpeng Lu
Schisandra chinensis, as a traditional Chinese herbal medicine, has clear pharmacological effects such as treating asthma, protecting nerves and blood vessels, and having anti-inflammatory properties. Although the Schisandra chinensis fruit contain multiple active components, the lignans have been widely studied as the primary pharmacologically active compound. The volatile chemical components of Schisandra
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Phosphorus Modification of Iron: Mechanistic Insights into Ammonia Synthesis on Fe2P Catalyst Molecules (IF 4.6) Pub Date : 2024-04-22 Abdulrahman Almithn
Ammonia (NH3) is a critical chemical for fertilizer production and a potential future energy carrier within a sustainable hydrogen economy. The industrial Haber–Bosch process, though effective, operates under harsh conditions due to the high thermodynamic stability of the nitrogen molecule (N2). This motivates the search for alternative catalysts that facilitate ammonia synthesis at milder temperatures
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Improving the Quality of Wheat Flour Bread by a Thermophilic Xylanase with Ultra Activity and Stability Reconstructed by Ancestral Sequence and Computational-Aided Analysis Molecules (IF 4.6) Pub Date : 2024-04-22 Guoshuai Hu, Xizhi Hong, Meixin Zhu, Lei Lei, Zhenggang Han, Yong Meng, Jiangke Yang
Xylanase is an essential component used to hydrolyze the xylan in wheat flour to enhance the quality of bread. Presently, cold-activated xylanase is popularly utilized to aid in the development of dough. In this study, ancestral sequence reconstruction and molecular docking of xylanase and wheat xylan were used to enhance the activity and stability of a thermophilic xylanase. The results indicated
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Predictive and Prognostic Biomarkers and Tumor Antigens for Targeted Therapy in Urothelial Carcinoma Molecules (IF 4.6) Pub Date : 2024-04-22 Aditya Eturi, Amman Bhasin, Kevin K. Zarrabi, William J. Tester
Urothelial carcinoma (UC) is the fourth most prevalent cancer amongst males worldwide. While patients with non-muscle-invasive disease have a favorable prognosis, 25% of UC patients present with locally advanced disease which is associated with a 10–15% 5-year survival rate and poor overall prognosis. Muscle-invasive bladder cancer (MIBC) is associated with about 50% 5 year survival when treated by
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Beneficial Effects of Dietary Fiber in Young Barley Leaf on Gut Microbiota and Immunity in Mice Molecules (IF 4.6) Pub Date : 2024-04-22 Seita Chudan, Takuto Kurakawa, Miyu Nishikawa, Yoshinori Nagai, Yoshiaki Tabuchi, Shinichi Ikushiro, Yukihiro Furusawa
The health benefits of young barley leaves, rich in dietary fiber, have been studied for several decades; however, their beneficial effects on the intestinal microenvironment remain to be elucidated. To investigate the effects of young barley leaf-derived dietary fiber (YB) on the gut microbiota and immunity, mice were fed an AIN-93G diet containing cellulose or YB and subjected to subsequent analysis
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Construction of TiO2/CuPc Heterojunctions for the Efficient Photocatalytic Reduction of CO2 with Water Molecules (IF 4.6) Pub Date : 2024-04-22 Jun Wang, Shuang Fu, Peng Hou, Jun Liu, Chao Li, Hongguang Zhang, Guowei Wang
Utilizing solar energy for photocatalytic CO2 reduction is an attractive research field because of its convenience, safety, and practicality. The selection of an appropriate photocatalyst is the key to achieve efficient CO2 reduction. Herein, we report the synthesis of TiO2/CuPc heterojunctions by compositing CuPc with TiO2 microspheres via a hydroxyl-induced self-assembly process. The experimental
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The Ocean’s Pharmacy: Health Discoveries in Marine Algae Molecules (IF 4.6) Pub Date : 2024-04-22 Mélanie Silva, Dorit Avni, João Varela, Luísa Barreira
Non-communicable diseases (NCDs) represent a global health challenge, constituting a major cause of mortality and disease burden in the 21st century. Addressing the prevention and management of NCDs is crucial for improving global public health, emphasizing the need for comprehensive strategies, early interventions, and innovative therapeutic approaches to mitigate their far-reaching consequences.
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Room Temperature Diels–Alder Reactions of 4-Vinylimidazoles Molecules (IF 4.6) Pub Date : 2024-04-22 Brandon B. Fulton, Alexia J. Hartzell, H. V. Rasika Dias, Carl J. Lovely
In the course of studying Diels–Alder reactions of 4-vinylimidazoles with N-phenylmaleimide, it was discovered that they engage in cycloaddition at room temperature to give high yields of the initial cycloadduct as a single stereoisomer. In certain cases, the product precipitated out of the reaction mixture and could be isolated by simple filtration, thereby avoiding issues with aromatization observed
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Synthesis, Spectroscopic Properties, and Metalation of 3-Alkoxybenziporphyrins Molecules (IF 4.6) Pub Date : 2024-04-22 Rachel A. Tomlovich, Timothy D. Lash
A series of 5-alkoxy-1,3-benzenedicarbaldehydes and related dimers were prepared in three steps from dimethyl 5-hydroxyisophthalate. Acid catalyzed condensation of the dialdehydes with a tripyrrane dicarboxylic acid, followed by oxidation with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone, afforded good yields of 3-alkoxybenziporphyrins, although dimeric tetraaldehydes failed to give isolatable porphyrinoid
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Molecular Dynamics Simulation of Kir6.2 Variants Reveals Potential Association with Diabetes Mellitus Molecules (IF 4.6) Pub Date : 2024-04-22 Mohamed E. Elangeeb, Imadeldin Elfaki, Ali M. S. Eleragi, Elsadig Mohamed Ahmed, Rashid Mir, Salem M. Alzahrani, Ruqaiah I. Bedaiwi, Zeyad M. Alharbi, Mohammad Muzaffar Mir, Mohammad Rehan Ajmal, Faris Jamal Tayeb, Jameel Barnawi
Diabetes mellitus (DM) represents a problem for the healthcare system worldwide. DM has very serious complications such as blindness, kidney failure, and cardiovascular disease. In addition to the very bad socioeconomic impacts, it influences patients and their families and communities. The global costs of DM and its complications are huge and expected to rise by the year 2030. DM is caused by genetic
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Anti-Tumor Activity and Mechanism of Silibinin Based on Network Pharmacology and Experimental Verification Molecules (IF 4.6) Pub Date : 2024-04-22 Peihai Li, Dexu Wang, Xueliang Yang, Changyu Liu, Xiaobin Li, Xuanming Zhang, Kechun Liu, Yun Zhang, Mengqi Zhang, Changyun Wang, Rongchun Wang
Silibinin is a flavonoid compound extracted from the seeds of Silybum marianum (L.) Gaertn. It has the functions of liver protection, blood-lipid reduction and anti-tumor effects. However, the potential molecular mechanism of silibinin against tumors is still unknown. This study aimed to assess the anti-tumor effects of silibinin in adenoid cystic carcinoma (ACC2) cells and Balb/c nude mice, and explore
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Increasing Analytical Quality by Designing a Thin-Layer Chromatography Scanner Method for the Determination of the Radiochemical Purity of Radiopharmaceutical Sodium Iodide 131I Oral Solution Molecules (IF 4.6) Pub Date : 2024-04-20 Miguel Vasquez-Huaman, Américo Castro-Luna, Norma Julia Ramos-Cevallos, Donald Ramos-Perfecto, Mario Alcarraz-Curi, Jacqueline Segura-Vasquez, Danny Cáceres-Antaurco
The goal of this study was to apply the principles of analytical quality by design (AQbD) to the analytical method for determining the radiochemical purity (PQR) of the radiopharmaceutical sodium iodide 131I oral solution, utilizing thin-layer chromatography (TLC) with a radio–TLC scanner, which also enables the evaluation of product quality. For AQbD, the analytical target profile (ATP), critical
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Control of Optical Reflection in Ca2MgWO6 by Co and Mo Doping Molecules (IF 4.6) Pub Date : 2024-04-21 Kazuki Yamaguchi, Kohei Minagawa, Ryohei Oka, Toshiyuki Masui
To develop novel inorganic red pigments without harmful elements, we focused on the band structure of Ca2(Mg, Co)WO6 and attempted to narrow its bandgap by replacing the W6+ sites in the host structure of Mo6+. Ca2Mg1−xCoxW1−yMoyO6 (0.10 ≤ x ≤ 0.30; 0.45 ≤ y ≤ 0.60) samples were synthesized by a sol-gel method using citric acids, and the crystal structure, optical properties, and color of the samples
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One-Step Synthesis of Polyethyleneimine-Grafted Styrene-Maleic Anhydride Copolymer Adsorbents for Effective Adsorption of Anionic Dyes Molecules (IF 4.6) Pub Date : 2024-04-21 Yao Xu, Qinwen Wang, Yuanbo Wang, Falu Hu, Bin Sun, Tingting Gao, Guowei Zhou
Wastewater containing organic dyes has become one of the important challenges in water treatment due to its high salt content and resistance to natural degradation. In this work, a novelty adsorbent, PEI-SMA, was prepared by grafting polyethyleneimine (PEI) onto styrene-maleic anhydride copolymer (SMA) through an amidation reaction. The various factors, such as pH, adsorbent dosage, contact time, dye
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Dragon’s Blood-Loaded Mesoporous Silica Nanoparticles for Rapid Hemostasis and Antibacterial Activity Molecules (IF 4.6) Pub Date : 2024-04-21 Cuiyun Yin, Yihang Li, Jing Yu, Zhaoyou Deng, Shifang Liu, Xuanchao Shi, Deying Tang, Xi Chen, Lixia Zhang
Dragon’s blood (DB) is a traditional Chinese medicine (TCM) with hemostatic effects and antibacterial properties. However, it is still challenging to use for rapid hemostasis because of its insolubility. In this study, different amounts of DB were loaded on mesoporous silica nanoparticles (MSNs) to prepare a series of DB-MSN composites (5DB-MSN, 10DB-MSN, and 20DB-MSN). DB-MSN could quickly release
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An Optimized Method for Evaluating the Preparation of High-Quality Fuel from Various Types of Biomass through Torrefaction Molecules (IF 4.6) Pub Date : 2024-04-21 Shuai Guo, Xiaoyan Deng, Deng Zhao, Shujun Zhu, Hongwei Qu, Xingcan Li, Yan Zhao
The pretreatment for torrefaction impacts the performance of biomass fuels and operational costs. Given their diversity, it is crucial to determine the optimal torrefaction conditions for different types of biomass. In this study, three typical solid biofuels, corn stover (CS), agaric fungus bran (AFB), and spent coffee grounds (SCGs), were prepared using fluidized bed torrefaction. The thermal stability
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Carbon Dots Anchoring Single-Atom Pt on C3N4 Boosting Photocatalytic Hydrogen Evolution Molecules (IF 4.6) Pub Date : 2024-04-21 Jing Wang, Jiayu Song, Xin Kang, Dongxu Wang, Chungui Tian, Qin Zhang, Hui Zhao, Jiancong Liu
Carbon nitride (C3N4) has gained considerable attention and has been regarded as an ideal candidate for photocatalytic hydrogen evolution. However, its photocatalytic efficiency is still unsatisfactory due to the rapid recombination rate of photo-generated carriers and restricted surface area with few active sites. Herein, we successfully synthesized a single-atom Pt cocatalyst-loaded photocatalyst
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Effects of Red Sorghum-Derived Deoxyanthocyanidins and Their O-β-D-Glucosides on E-Cadherin Promoter Activity in PC-3 Prostate Cancer Cells Molecules (IF 4.6) Pub Date : 2024-04-21 Nathalie Mora, Maxence Rosa, Mohamed Touaibia, Luc J. Martin
Although much less common than anthocyanins, 3-Deoxyanthocyanidins (3-DAs) and their glucosides can be found in cereals such as red sorghum. It is speculated that their bioavailability is higher than that of anthocyanins. Thus far, little is known regarding the therapeutic effects of 3-DAs and their O-β-D-glucosides on cancer, including prostate cancer. Thus, we evaluated their potential to decrease
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Chemical Composition of Volatile and Extractive Components of Canary (Tenerife) Propolis Molecules (IF 4.6) Pub Date : 2024-04-19 Valery A. Isidorov, Andrea M. Dallagnol, Adam Zalewski
The vegetation of the Canary Islands is characterized by a large number of endemic species confined to different altitudinal levels. It can be assumed that these circumstances determine the characteristic features of the chemical composition of local beekeeping products, including propolis. We report, for the first time, the chemical composition of propolis from Tenerife (Canary Islands). The volatile
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Characterization and Flame-Retardant Properties of Cobalt-Coordinated Cyclic Phosphonitrile in Thermoplastic Polyurethane Composites Molecules (IF 4.6) Pub Date : 2024-04-19 Xiangcong Zeng, Zhi Xu, Haoxun Li, Yun Xiong, Yigang Ding, Lili Xu, Shengpeng Liu
Halogen-free organophosphorus flame retardants have promising application prospects due to their excellent safety and environmental protection properties. A cobalt-coordinated cyclic phosphonitrile flame retardant (Co@CPA) was synthesized via a hydrothermal method using hexachlorocyclotriphosphonitrile (HCCP), 5-amino-tetrazolium (5-AT), and cobalt nitrate hexahydrate (Co(NO3)2∙6H2O) as starting materials
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Chlorination of Aromatic Amino Acids: Elucidating Disinfection Byproducts, Reaction Kinetics, and Influence Factors Molecules (IF 4.6) Pub Date : 2024-04-20 Zhenyi Chen, Bangyu Chen, Hui Shen, Xunlin Li, Chen Zhou, Guangcai Ma, Xiaoxuan Wei, Xueyu Wang, Haiying Yu
In the face of ongoing water pollution challenges, the intricate interplay between dissolved organic matter and disinfectants like chlorine gives rise to potentially harmful disinfection byproducts (DBPs) during water treatment. The exploration of DBP formation originating from amino acids (AA) is a critical focus of global research. Aromatic DBPs, in particular, have garnered considerable attention
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Structural and Rheological Characterization of Vegetable Crispbread Enriched with Legume Purée Molecules (IF 4.6) Pub Date : 2024-04-20 Karolina Szulc, Sabina Galus
Crispbread is gaining popularity as a healthy snack or bread substitute. This is a lightweight dry type of flat food that stays fresh for a very long time due to its lack of water and usually contains different types of grain flour, including gluten-containing wheat or rye flour. The incorporation of legume purée into crispbread represents an innovative approach to enhancing the nutritional profile
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Application of Fourier-Transform Infrared Spectroscopy for the Assessment of Wine Spoilage Indicators: A Feasibility Study Molecules (IF 4.6) Pub Date : 2024-04-20 Cláudia Andreia Teixeira dos Santos, Ricardo Nuno Mendes Jorge Páscoa, Nuria Pérez-del-Notario, José Maria González-Sáiz, Consuelo Pizarro, João Almeida Lopes
Wine aroma is one of the most frequently used and explored quality indicators. Typically, its assessment involves estimating the volatile composition of wine or highly trained assessors conducting sensory analysis. However, current methodologies rely on slow, expensive and complicated analytical procedures. Additionally, sensory evaluation is inherently subjective in nature. Therefore, the aim of this
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CB1 Receptor Negative Allosteric Modulators as a Potential Tool to Reverse Cannabinoid Toxicity Molecules (IF 4.6) Pub Date : 2024-04-20 Audrey Flavin, Paniz Azizi, Natalia Murataeva, Kyle Yust, Wenwen Du, Ruth Ross, Iain Greig, Thuy Nguyen, Yanan Zhang, Ken Mackie, Alex Straiker
While the opioid crisis has justifiably occupied news headlines, emergency rooms are seeing many thousands of visits for another cause: cannabinoid toxicity. This is partly due to the spread of cheap and extremely potent synthetic cannabinoids that can cause serious neurological and cardiovascular complications—and deaths—every year. While an opioid overdose can be reversed by naloxone, there is no
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Novel Biopolymer-Based Catalyst for the Multicomponent Synthesis of N-aryl-4-aryl-Substituted Dihydropyridines Derived from Simple and Complex Anilines Molecules (IF 4.6) Pub Date : 2024-04-20 Giovanna Bosica, Roderick Abdilla
Although Hantzsch synthesis has been an established multicomponent reaction method for more than a decade, its derivative, whereby an aniline replaces ammonium acetate as the nitrogen source, has not been explored at great length. Recent studies have shown that the products of such a reaction, N-aryl-4-aryldihydropyridines (DHPs), have significant anticancer activity. In this study, we successfully
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Design of Na3MnZr(PO4)3/Carbon Nanofiber Free-Standing Cathodes for Sodium-Ion Batteries with Enhanced Electrochemical Performances through Different Electrospinning Approaches Molecules (IF 4.6) Pub Date : 2024-04-20 Debora Maria Conti, Claudia Urru, Giovanna Bruni, Pietro Galinetto, Benedetta Albini, Chiara Milanese, Silvia Pisani, Vittorio Berbenni, Doretta Capsoni
The NASICON-structured Na3MnZr(PO4)3 compound is a promising high-voltage cathode material for sodium-ion batteries (SIBs). In this study, an easy and scalable electrospinning approach was used to synthesize self-standing cathodes based on Na3MnZr(PO4)3 loaded into carbon nanofibers (CNFs). Different strategies were applied to load the active material. All the employed characterization techniques (X-ray
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Anti-Tumor Effects and Toxicity Reduction Mechanisms of Prunella vulgaris: A Comprehensive Review Molecules (IF 4.6) Pub Date : 2024-04-18 Na Ning, Yi Nan, Guoqing Chen, Shicong Huang, Doudou Lu, Yating Yang, Fandi Meng, Ling Yuan
Purpose: To investigate and systematically describe the mechanism of action of Prunella vulgaris (P. vulgaris) against digestive system tumors and related toxicity reduction. Methods: This study briefly describes the history of medicinal food and the pharmacological effects of P. vulgaris, focusing on the review of the anti-digestive tumor effects of the active ingredients of P. vulgaris and the mechanism
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A Study of the Micellar Formation of N-Alkyl Betaine Ethyl Ester Chlorides Based on the Physicochemical Properties of Their Aqueous Solutions Molecules (IF 4.6) Pub Date : 2024-04-18 Monika Geppert-Rybczyńska, Anna Mrozek-Wilczkiewicz, Patrycja Rawicka, Piotr Bartczak
In this study, a series of four surface-active compounds—N-alkyl betaine ethyl ester chlorides, CnBetC2Cl—were synthesized and characterized in aqueous solutions. As with other alkyl betaines, these amphiphiles can be practically used, for example, as co-surfactants and/or solubility enhancers acting according to hydrotropic or micellar mechanisms, depending on the alkyl chain length in the amine.
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Internal Factors Affecting the Crystallization of the Lipid System: Triacylglycerol Structure, Composition, and Minor Components Molecules (IF 4.6) Pub Date : 2024-04-18 Dubing Yang, Yee-Ying Lee, Yuxia Lu, Yong Wang, Zhen Zhang
The process of lipid crystallization influences the characteristics of lipid. By changing the chemical composition of the lipid system, the crystallization behavior could be controlled. This review elucidates the internal factors affecting lipid crystallization, including triacylglycerol (TAG) structure, TAG composition, and minor components. The influence of these factors on the TAG crystal polymorphic
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Preparation of Hydrophobic Au Catalyst and Application in One-Step Oxidative Esterification of Methacrolein to Methyl Methacrylate Molecules (IF 4.6) Pub Date : 2024-04-19 Yanxia Zheng, Yubo Yang, Yixuan Li, Lu Cai, Xuanjiao Zhao, Bing Xue, Yuchao Li, Jiutao An, Jialiang Zhang
The water produced during the oxidative esterification reaction occupies the active sites and reduces the activity of the catalyst. In order to reduce the influence of water on the reaction system, a hydrophobic catalyst was prepared for the one-step oxidative esterification of methylacrolein (MAL) and methanol. The catalyst was synthesized by loading the active component Au onto ZnO using the dep
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Research on Green Adsorbents Molecules (IF 4.6) Pub Date : 2024-04-19 Małgorzata Wiśniewska, Piotr Nowicki
Adsorption processes play a crucial role in air purification, wastewater treatment, soil remediation technologies, noble metals recovery, and long-term energy storage systems [...]
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Exploring the Pharmacological Potential of Lithospermum officinale L.: A Review of Phytochemicals and Ethnomedicinal Uses Molecules (IF 4.6) Pub Date : 2024-04-19 Gulzhanat Barkizatova, Aknur Turgumbayeva, Kairat Zhakipbekov, Kuralay Bekesheva, Zhalgaskali Arystanov, Tanagul Arystanova, Farida Kayupova, Klara Zhumalina, Zhanat Toxanbayeva, Aigul Ibragimova, Olga Blinova, Gulnara Utegenova, Nurzhan Iztileu, Zhanserik Shynykul
Exploring phytochemicals from ethnomedicinal plants for pharmacological applications is a promising research area. By studying ethnomedicine, researchers can identify plants used for centuries to treat ailments and investigate their phytochemicals. Consequently, phytochemicals can be isolated, characterized, and tested for pharmacological activities, leading to new drug development. This research also
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Recent Progress in Two-Dimensional Nanomaterials for Flame Retardance and Fire-Warning Applications Molecules (IF 4.6) Pub Date : 2024-04-19 Weiliang Lin, Yao Yuan, Lulu Xu, Wei Wang
Graphene-like 2D nanomaterials, such as graphene, MXene, molybdenum disulfide, and boron nitride, present a promising avenue for eco-friendly flame retardants. Their inherent characteristics, including metal-like conductivity, high specific surface area, electron transport capacity, and solution processability, make them highly suitable for applications in both structural fire protection and fire alarm
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Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning Molecules (IF 4.6) Pub Date : 2024-04-19 Jian Wang, Wanchun Yang, Lu Zhao, Benzheng Wei, Jianzhong Chen
Bromodomain 4 and 9 (BRD4 and BRD9) have been regarded as important targets of drug designs in regard to the treatment of multiple diseases. In our current study, molecular dynamics (MD) simulations, deep learning (DL) and binding free energy calculations are integrated to probe the binding modes of three inhibitors (H1B, JQ1 and TVU) to BRD4 and BRD9. The MD trajectory-based DL successfully identify
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A Systematic Review of Statins for the Treatment of Nonalcoholic Steatohepatitis: Safety, Efficacy, and Mechanism of Action Molecules (IF 4.6) Pub Date : 2024-04-19 Shiqin Zhang, Xiaoling Ren, Bingzheng Zhang, Tian Lan, Bing Liu
Nonalcoholic fatty liver disease (NAFLD) is the liver component of a cluster of conditions, while its subtype, nonalcoholic steatohepatitis (NASH), emerges as a potentially progressive liver disorder that harbors the risk of evolving into cirrhosis and culminating in hepatocellular carcinoma (HCC). NASH and cardiovascular disease (CVD) have common risk factors, but compared to liver-related causes
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Dissipation and Safety Analysis of Dimethomorph Application in Lychee by High-Performance Liquid Chromatography–Tandem Mass Spectrometry with QuEChERS Molecules (IF 4.6) Pub Date : 2024-04-19 Siwei Wang, Xiaonan Wang, Yanping Liu, Qiang He, Hai Tian
This study presents a method for analyzing dimethomorph residues in lychee using QuEChERS extraction and HPLC-MS/MS. The validation parameters for this method, which include accuracy, precision, linearity, and recovery, indicate that it meets standard validation requirements. Following first-order kinetics, the dissipation dynamic of dimethomorph in lychee was determined to range from 6.4 to 9.2 days
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A Study on the Efficient Preparation of α-Ketoglutarate with L-Glutamate Oxidase Molecules (IF 4.6) Pub Date : 2024-04-19 Shuhui Niu, Fang Liu, Yaping Wang, Ben Rao, Yueying Wang
Alpha-ketoglutaric acid (α-KG), as an intermediate product of the tricarboxylic acid cycle, plays a crucial role in peptide and amino acid synthesis. In order to reduce costs and improve efficiency in the oxidative production of α-ketoglutaric acid, this study successfully synthesized and expressed L-glutamate oxidase (LGOXStr) from Streptomyces viridosporus R111 and catalase (KatGEsc) from Escherichia
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Evaluation of Physicochemical Properties of Ipsapirone Derivatives Based on Chromatographic and Chemometric Approaches Molecules (IF 4.6) Pub Date : 2024-04-19 Wiktor Nisterenko, Damian Kułaga, Mateusz Woziński, Yash Raj Singh, Beata Judzińska, Karolina Jagiello, Katarzyna Ewa Greber, Wiesław Sawicki, Krzesimir Ciura
Drug discovery is a challenging process, with many compounds failing to progress due to unmet pharmacokinetic criteria. Lipophilicity is an important physicochemical parameter that affects various pharmacokinetic processes, including absorption, metabolism, and excretion. This study evaluated the lipophilic properties of a library of ipsapirone derivatives that were previously synthesized to affect
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The Antioxidant, Anti-Inflammatory and Moisturizing Effects of Camellia oleifera Oil and Its Potential Applications Molecules (IF 4.6) Pub Date : 2024-04-19 Lijun Zhou, Yunlan Peng, Zhou Xu, Jingyi Chen, Ningbo Zhang, Tao Liang, Tao Chen, Yao Xiao, Shiling Feng, Chunbang Ding
Camellia oleifera oil (CO oil) extracted from C. oleifera seeds has a 2300-year consumption history in China. However, there is relatively little research regarding its non-edible uses. This study determined the physicochemical properties of CO oil extracted via direct pressing, identified its main components using GC-MS, and evaluated its antioxidant, moisturizing, and anti-inflammatory activities
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Sesquiterpene Lactones Containing an α-Methylene-γ-Lactone Moiety Selectively Down-Regulate the Expression of Tumor Necrosis Factor Receptor 1 by Promoting Its Ectodomain Shedding in Human Lung Adenocarcinoma A549 Cells Molecules (IF 4.6) Pub Date : 2024-04-19 Quy Van Vu, Shinsei Sayama, Masayoshi Ando, Takao Kataoka
Alantolactone is a eudesmane-type sesquiterpene lactone containing an α-methylene-γ-lactone moiety. Previous studies showed that alantolactone inhibits the nuclear factor κB (NF-κB) signaling pathway by targeting the inhibitor of NF-κB (IκB) kinase. However, in the present study, we demonstrated that alantolactone selectively down-regulated the expression of tumor necrosis factor (TNF) receptor 1 (TNF-R1)
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Influence of the Nitrogen Fertilization on the Yield, Biometric Characteristics and Chemical Composition of Stevia rebaudiana Bertoni Grown in Poland Molecules (IF 4.6) Pub Date : 2024-04-19 Joanna Śniegowska, Anita Biesiada, Alan Gasiński
Stevia rebaudiana Bertoni is a plant native to South America that has gathered much interest in recent decades thanks to diterpene glycosides, called steviosides, which it produces. These compounds are characterised by their sweetness, which is 250–300 times higher than saccharose, and they contain almost no caloric value. Stevia is currently also grown outside the South American continent, in various
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NIMO: A Natural Product-Inspired Molecular Generative Model Based on Conditional Transformer Molecules (IF 4.6) Pub Date : 2024-04-19 Xiaojuan Shen, Tao Zeng, Nianhang Chen, Jiabo Li, Ruibo Wu
Natural products (NPs) have diverse biological activity and significant medicinal value. The structural diversity of NPs is the mainstay of drug discovery. Expanding the chemical space of NPs is an urgent need. Inspired by the concept of fragment-assembled pseudo-natural products, we developed a computational tool called NIMO, which is based on the transformer neural network model. NIMO employs two
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Catalytically Active SiO2 Aerogels Comprising Chelate Complexes of Palladium Molecules (IF 4.6) Pub Date : 2024-04-19 Nataliya A. Sipyagina, Nikita E. Vlasenko, Alena N. Malkova, Gennady P. Kopitsa, Yulia E. Gorshkova, Sergey Yu. Kottsov, Sergey A. Lermontov
A series of silica-based aerogels comprising novel bifunctional chelating ligands was prepared. To produce target aerogels, two aminosilanes, namely (3-aminopropyl)trimethoxysilane (APTMS) and N-(2-aminoethyl)-3-aminopropyltrimethoxysilane (AEAPTMS), were acylated by natural amino acids ((S)-(+)-2-phenylglycine or L-phenylalanine), followed by gelation and supercritical drying (SCD). Lithium tetrachloropalladate
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Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory Molecules (IF 4.6) Pub Date : 2024-04-19 Luis R. Domingo, Mar Ríos-Gutiérrez
The critical role of global electron density transfer (GEDT) in increasing the reaction rate of polar organic reactions has been studied within the framework of Molecular Electron Density Theory (MEDT). To this end, the series of the polar Diels–Alder (P-DA) reactions of cyclopentadiene with cyanoethylene derivatives, for which experimental kinetic data are available, have been chosen. A complete linear
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Dry Reforming of Methane over Pyrochlore-Type La2Ce2O7-Supported Ni Catalyst: Effect of Particle Size of Support Molecules (IF 4.6) Pub Date : 2024-04-19 Zeling Zhou, Chao Li, Junfeng Zhang, Qiliang Gao, Jiahao Wang, Qingde Zhang, Yizhuo Han
The properties of supports (such as oxygen vacancies, oxygen species properties, etc.) significantly impact the anti-carbon ability due to their promotional effect on the activation of CO2 in dry reforming of methane (DRM). Herein, pyrochlore-type La2Ce2O7 compounds prepared using co-precipitation (CP), glycine nitrate combustion (GNC) and sol–gel (S-G) methods, which have highly thermal stability
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A Comprehensive Review of In Situ Measurement Techniques for Evaluating the Electro-Chemo-Mechanical Behaviors of Battery Electrodes Molecules (IF 4.6) Pub Date : 2024-04-19 Hainan Jiang, Jie Chen, Xiaolin Li, Zhiyao Jin, Tianjun Chen, Jiahui Liu, Dawei Li
The global production landscape exhibits a substantial need for efficient and clean energy. Enhancing and advancing energy storage systems are a crucial avenue to optimize energy utilization and mitigate costs. Lithium batteries are the most effective and impressive energy utilization system at present, with good safety, high energy density, excellent cycle performance, and other advantages, occupying
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Analysis of Volatile Aroma Components in Different Parts of Shiitake Mushroom (Lentinus edodes) Treated with Ultraviolet C Light-Emitting Diodes Based on Gas Chromatography–Ion Mobility Spectroscopy Molecules (IF 4.6) Pub Date : 2024-04-19 Daihua Hu, Yulin Wang, Fanshu Kong, Danni Wang, Chingyuan Hu, Xu Yang, Xiaohua Chen, Wang Chen, Zili Feng
Further assessment of ultraviolet C light-emitting diode (UVC-LED) irradiation for influencing shiitake mushrooms’ (Lentinus edodes) volatile and sensory properties is needed. In this study, a comparison of UVC-LED irradiation treatment on the flavor profiles in various parts of shiitake mushrooms was conducted using gas chromatography–ion mobility spectrometry (GC-IMS) and sensory analysis. Sixty-three
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Synthesis of ω-Chloroalkyl Aryl Ketones via C–C Bond Cleavage of tert-Cycloalkanols with Tetramethylammonium Hypochlorite Molecules (IF 4.6) Pub Date : 2024-04-19 Natsumi Hanazawa, Masami Kuriyama, Kosuke Yamamoto, Osamu Onomura
An oxidative C–C bond cleavage of tert-cycloalkanols with tetramethylammonium hypochlorite (TMAOCl) has been developed. TMAOCl is easy to prepare from tetramethylammonium hydroxide, and the combination of TMAOCl and AcOH effectively promoted the C–C bond cleavage in a two-phase system without additional phase-transfer reagents. Unstrained tert-cycloalkanols were transformed into ω-chloroalkyl aryl
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The Recognition Pathway of the SARS-CoV-2 Spike Receptor-Binding Domain to Human Angiotensin-Converting Enzyme 2 Molecules (IF 4.6) Pub Date : 2024-04-19 Can Peng, Xinyue Lv, Zhiqiang Zhang, Jianping Lin, Dongmei Li
COVID-19 caused by SARS-CoV-2 has spread around the world. The receptor-binding domain (RBD) of the spike protein of SARS-CoV-2 is a critical component that directly interacts with host ACE2. Here, we simulate the ACE2 recognition processes of RBD of the WT, Delta, and OmicronBA.2 variants using our recently developed supervised Gaussian accelerated molecular dynamics (Su-GaMD) approach. We show that
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Promising Antileishmanial Activity of Micromeria nervosa Essential Oil: In Vitro and In Silico Studies Molecules (IF 4.6) Pub Date : 2024-04-19 Rym Essid, Sarra Kefi, Bilel Damergi, Ghassen Abid, Nadia Fares, Selim Jallouli, Islem Abid, Dina Hussein, Olfa Tabbene, Ferid Limam
The present study aimed to evaluate the leishmanicidal potential of the essential oil (EO) of Micromeria (M.) nervosa and to investigate its molecular mechanism of action by qPCR. Furthermore, in silicointeraction study of the major M. nervosa EO compounds with the enzyme cytochrome P450 sterol 14α-demethylase (CYP51) was also performed. M. nervosa EO was analyzed by gas chromatography-mass spectrometry
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Analysis Transcriptome and Phytohormone Changes Associated with the Allelopathic Effects of Ginseng Hairy Roots Induced by Different-Polarity Ginsenoside Components Molecules (IF 4.6) Pub Date : 2024-04-19 Tingting Zhou, Qiong Li, Xin Huang, Changbao Chen
The allelopathic autotoxicity of ginsenosides is an important cause of continuous cropping obstacles in ginseng planting. There is no report on the potential molecular mechanism of the correlation between polarity of ginsenoside components and their allelopathic autotoxicity. This study applied a combination of metabolomics and transcriptomics analysis techniques, combined with apparent morphology
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Bond Formation at C8 in the Nucleoside and Nucleotide Purine Scaffold: An Informative Selection Molecules (IF 4.6) Pub Date : 2024-04-17 Kjell Undheim
This paper presents methods for the introduction and exchange of substituents in a nucleobase and its nucleosides and nucleotides with emphasis on the C8-position in the purine skeleton. The nucleobase is open for electrophilic and nucleophilic chemistry. The nucleophilic chemistry consists mainly of displacement reactions when the C8-substituent is a good leaving group such as a halogen atom. The
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Enhanced Adsorption of Methyl Orange from Aqueous Phase Using Chitosan–Palmer Amaranth Biochar Composite Microspheres Molecules (IF 4.6) Pub Date : 2024-04-18 Guiling Chen, Yitong Yin, Xianting Zhang, Andong Qian, Xiaoyang Pan, Fei Liu, Rui Li
To develop valuable applications for the invasive weed Palmer amaranth, we utilized it as a novel biochar source and explored its potential for methyl orange adsorption through the synthesis of chitosan-encapsulated Palmer amaranth biochar composite microspheres. Firstly, the prepared microspheres were characterized by scanning electron microscopy and Fourier transform infrared spectroscopy and were
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Novel Withanolides from Tubocapsicum anomalum Suppress Triple-Negative Breast Cancer by Triggering Apoptosis and p53-ASCT2-SLC7A11-Mediated Ferroptosis Molecules (IF 4.6) Pub Date : 2024-04-18 Lili Huang, Yingying Wei, Maowei Ni, Hongtao Hu, Luyi Xi, Chen Wang, Zhihui Zhu, Bo Yang, Huajun Zhao
Triple-negative breast cancer (TNBC) is a malignant breast cancer. There is an urgent need for effective drugs to be developed for TNBC. Tubocapsicum anomalum (T. anomalum) has been reported to have an anti-tumor effect, and six novel withanolides were isolated from it and designated as TAMEWs. However, its anti-TNBC effect is still unknown. The results of an MTT assay indicated a higher sensitivity
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Preparation and Anti-Icing Properties of Zirconia Superhydrophobic Coating Molecules (IF 4.6) Pub Date : 2024-04-18 Jiahui Zhou, Haikun Zheng, Wei Sheng, Xiaoru Hao, Xinmin Zhang
Zirconia (ZrO2) is a ceramic material with high-temperature resistance and good insulating properties. Herein, for the first time, the surface of ZrO2 was modified with docosanoic acid (DCA) to improve its self-cleaning and hydrophobic properties. This surface modification transformed the surface of ZrO2 from hydrophilic to superhydrophobic. A two-step spraying method was used to prepare the superhydrophobic
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Spin-Steered Photosynthesis of H2O2 in Magnetic Single-Atom Modified Covalent Triazine Frameworks: A Density Functional Theory Study Molecules (IF 4.6) Pub Date : 2024-04-18 Feng Liao, Zhao Lu, Zhongliao Wang
Covalent Organic Frameworks (COFs) demonstrate promising potential in the photocatalytic synthesis of H2O2 owing to favorable light absorption, superior charge separation, and considerable surface area. However, the efficiency of H2O2 photosynthesis is impeded by insufficient O2 adsorption sites and a high reaction barrier. In this work, various metal single atoms (Fe, Co, Ni) are introduced onto covalent
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Synthesis and Structural Studies of peri-Substituted Acenaphthenes with Tertiary Phosphine and Stibine Groups Molecules (IF 4.6) Pub Date : 2024-04-18 Laurence J. Taylor, Emma E. Lawson, David B. Cordes, Kasun S. Athukorala Arachchige, Alexandra M. Z. Slawin, Brian A. Chalmers, Petr Kilian
Two mixed peri-substituted phosphine-chlorostibines, Acenap(PiPr2)(SbPhCl) and Acenap(PiPr2)(SbCl2) (Acenap = acenaphthene-5,6-diyl) reacted cleanly with Grignard reagents or nBuLi to give the corresponding tertiary phosphine-stibines Acenap(PiPr2)(SbRR’) (R, R’ = Me, iPr, nBu, Ph). In addition, the Pt(II) complex of the tertiary phosphine-stibine Acenap(PiPr2)(SbPh2) as well as the Mo(0) complex of
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Development of Ring-Expansion RAFT Polymerization of tert-Butyl Acrylate with a Cyclic Trithiocarbonate Derivative toward the Facile Synthesis of Cyclic Polymers Molecules (IF 4.6) Pub Date : 2024-04-18 Jin Motoyanagi, Hiroki Fujii, Masahiko Minoda
Polymers with cyclic topology have no terminal structure and, therefore, exhibit various unique physical and functional properties compared to those of linear analogs. In this paper, we report an innovative methodology for the synthesis of cyclic polymers via ring-expansion RAFT (RE-RAFT) polymerization of vinyl monomers using a cyclic trithiocarbonate derivative (CTTC) as a RAFT agent. RE-RAFT of