IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215215

Andrzej Patrykiejew

{"title":"The Ordered Structures Formed by Janus-like Particles on a Triangular Lattice.","authors":"Andrzej Patrykiejew","doi":"10.3390/molecules29215215","DOIUrl":"10.3390/molecules29215215","url":null,"abstract":"The formation of ordered structures by Janus-like particles, composed of two parts (A and B), with orientation-dependent interactions on a triangular lattice was studied using Monte Carlo methods. The assumed lattice model allows each particle to take on one of the six orientations. The interaction between the A parts of neighboring particles was assumed to be attractive, while the AB and BB interactions were assumed to be repulsive. Moreover, it was assumed that the interaction between a pair of neighboring particles depended on the degrees to which their AA, AB, and BB parts face each other. It was shown that several ordered phases of different densities and structures may appear, depending on the magnitudes of AB and BB interactions. In particular, we found several structures composed of small clusters consisting of three (OT), four (OR), and seven (S) particles, surrounded by empty sites, the lamellar phases (OL, OL1, and OL3), the structures with hexagonal symmetry (R3×3 and K), as well as the structures with more complex symmetry (R5×5 and LAD). Several phase diagrams were evaluated, which demonstrated that the stability regions of different ordered phases are primarily determined by the strengths of repulsive AB and BB interactions.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547329/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Novel Delivery System for the Combined Use of Natural Ingredients: The Preparation of Berberine Hydrochloride-Matrine Liposomes and Preliminary Exploration of Their Anti-Tumor Activity. 联合使用天然成分的新型给药系统：盐酸小檗碱-马钱子碱脂质体的制备及其抗肿瘤活性的初步探索

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215210

Min Xu, Zhangkai Ye, JunJing Liu, Shunpeng Zhu, Yuchen Chen, Jia Cai, Yangxi Chen, Long Wang, Liang Zhang, Qiang Ye

{"title":"A Novel Delivery System for the Combined Use of Natural Ingredients: The Preparation of Berberine Hydrochloride-Matrine Liposomes and Preliminary Exploration of Their Anti-Tumor Activity.","authors":"Min Xu, Zhangkai Ye, JunJing Liu, Shunpeng Zhu, Yuchen Chen, Jia Cai, Yangxi Chen, Long Wang, Liang Zhang, Qiang Ye","doi":"10.3390/molecules29215210","DOIUrl":"10.3390/molecules29215210","url":null,"abstract":"Berberine hydrochloride (BH) extracted from Coptis chinensis (CC) and Matrine (MT) separated from Sophora flavescens (SF) are alkaloids with potent anti-bacterial, anti-inflammatory, and anti-tumor effects. Motivated by the clinical practice of using CC and SF together, we aimed to demonstrate that the synergistic application of the natural compounds BH and MT could enhance therapeutic effects and minimize side effects. Two types of liposomes, liposomes containing only BH (BH-LP) and liposomes containing both BH and MT (BH-MT-LP), were successfully prepared via the reverse evaporation method. The liposome preparation process was optimized by single-factor screening and the Box-Behnken experimental design method. The results showed that the liposomes had particle sizes in the range of 222.7 to 235.4 nm, polydispersity indicated in the range of 11.8% to 23.3%, and zeta potentials in the range of -35.9 to -31.1 mv. BH-MT-LP showed superior anti-tumor activity against MDA-MB-231, HepG-2, and HGC-27 cells in vitro. The incorporation of MT effectively promoted the anti-tumor effect of BH, while the controlled release from liposomes further enhanced the therapeutic efficacy of BH. Furthermore, based on the flow cytometry results, we speculated that BH-MT-LP might promote apoptosis by blocking the G1 phase of cells and inducing cell death. In conclusion, BH-MT-LP provides evidence for the combined use of natural compounds as a stable, safe, and practical drug delivery system for the treatment of potential cancers. Meanwhile, the successful preparation for BH-MT-LP also provides a new approach to the combined use of traditional Chinese medicine ingredients.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547310/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624425","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of Side-Chain Liquid Crystalline Polyacrylates with Bridged Stilbene Mesogens. 具有桥接链烯中间体的侧链液晶聚丙烯酸酯的合成。

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215220

Gen-Ichi Konishi, Yuki Sawatari, Riki Iwai, Takuya Tanaka, Yoshimichi Shimomura, Masatoshi Tokita

{"title":"Synthesis of Side-Chain Liquid Crystalline Polyacrylates with Bridged Stilbene Mesogens.","authors":"Gen-Ichi Konishi, Yuki Sawatari, Riki Iwai, Takuya Tanaka, Yoshimichi Shimomura, Masatoshi Tokita","doi":"10.3390/molecules29215220","DOIUrl":"10.3390/molecules29215220","url":null,"abstract":"In recent years, π-conjugated liquid crystalline molecules with optoelectronic functionalities have garnered considerable attention, and integrating these molecules into side-chain liquid crystalline polymers (SCLCPs) holds potential for developing devices that are operational near room temperature. However, it is difficult to design SCLCPs with excellent processability because liquid crystalline mesogens are rigid rods, have low solubility in organic solvents, and have a high isotropization temperature. Recently, we developed near-room-temperature π-conjugated nematic liquid crystals based on \"bridged stilbene\". In this work, we synthesized a polyacrylate SCLCP incorporating a bridged stilbene that exhibited a nematic phase near room temperature and could maintain liquid crystallinity for more than three months. We conducted a thorough phase structure analysis and evaluated the optical properties. The birefringence values of the resulting polymers were higher than those of the corresponding monomers because of the enhanced order parameters due to the polymer effect. In addition, the synthesized polymers inherited mesogen-derived AIE properties, with high quantum yields (Φfl = 0.14-0.35) in the solid state. It is noteworthy that the maximum fluorescence wavelength exhibited a redshift of greater than 27 nm as a consequence of film formation. Thus, several unique characteristics of the SCLCPs are unattainable with small molecular systems.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547409/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624514","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Antiviral Effects and Mechanisms of Active Ingredients in Tea. 茶叶中活性成分的抗病毒作用和机制

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215218

Xinghai Zhang, Haonan Yu, Panjie Sun, Mengxin Huang, Bo Li

引用次数: 0

Lycopene-Loaded Emulsions: Chitosan Versus Non-Ionic Surfactants as Stabilizers. 番茄红素乳液：壳聚糖与作为稳定剂的非离子表面活性剂的对比。

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215209

Sonia Álvarez-García, Lucie Couarraze, María Matos, Gemma Gutiérrez

{"title":"Lycopene-Loaded Emulsions: Chitosan Versus Non-Ionic Surfactants as Stabilizers.","authors":"Sonia Álvarez-García, Lucie Couarraze, María Matos, Gemma Gutiérrez","doi":"10.3390/molecules29215209","DOIUrl":"10.3390/molecules29215209","url":null,"abstract":"Lycopene is a natural carotenoid with well-known benefits due to its antioxidant properties, including an anti-inflammatory effect in colorectal cancer and anti-angiogenic effects along with a reduction in the risk of prostate cancer and coronary heart disease. Due to their poor water solubility, photosensitivity and heat sensitivity, their incorporation in cosmetic and food matrices should be through encapsulation systems. In the present work, lycopene-loaded emulsions were prepared using two different types of stabilizers: non-ionic surfactants, testing several ratios of Tween 80 and Span 80, and chitosan, using chitosans of different viscosities and molecular weights. Soybean oil was found to be a suitable candidate for O/W emulsion preparation. Lycopene encapsulation efficiency (EE) of 70-75% and loading capacities of 0.14 mg/g were registered in stable emulsions stabilized either by non-ionic surfactants or acidified chitosans. Therefore, chitosan is a good alternative as a sustainable stabilizer to partially replace traditional synthetic ingredients with a new biodegradable, renewable and biocompatible material which could contribute to reduce the environmental impact as well as the ingestion of synthetic toxic materials by humans, decreasing their risk of suffering from chronic and complex pathologies, among which several types of cancer stand out.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547727/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phase Transformation on Two-Dimensional MoTe₂ Films for Surface-Enhanced Raman Spectroscopy. 用于表面增强拉曼光谱的二维 MoTe2 薄膜的相变。

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215216

Caiye Zhao, Junwen Huang

引用次数: 0

Two-Dimensional ABS₄ (A and B = Zr, Hf, and Ti) as Promising Anode for Li and Na-Ion Batteries. 二维 ABS4（A 和 B = Zr、Hf 和 Ti）有望成为锂离子和钠离子电池的阳极。

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215208

Shehzad Ahmed, Imran Muhammad, Awais Ghani, Iltaf Muhammad, Naeem Ullah, Nadeem Raza, Yong Wang, Xiaoqing Tian, Honglei Wu, Danish Khan

{"title":"Two-Dimensional ABS4 (A and B = Zr, Hf, and Ti) as Promising Anode for Li and Na-Ion Batteries.","authors":"Shehzad Ahmed, Imran Muhammad, Awais Ghani, Iltaf Muhammad, Naeem Ullah, Nadeem Raza, Yong Wang, Xiaoqing Tian, Honglei Wu, Danish Khan","doi":"10.3390/molecules29215208","DOIUrl":"10.3390/molecules29215208","url":null,"abstract":"Metal ion intercalation into van der Waals gaps of layered materials is vital for large-scale electrochemical energy storage. Transition-metal sulfides, ABS4 (where A and B represent Zr, Hf, and Ti as monolayers as anodes), are examined as lithium and sodium ion storage. Our study reveals that these monolayers offer exceptional performance for ion storage. The low diffusion barriers enable efficient lithium bonding and rapid separation while all ABS4 phases remain semiconducting before lithiation and transition to metallic states, ensuring excellent electrical conductivity. Notably, the monolayers demonstrate impressive ion capacities: 1639, 1202, and 1119 mAh/g for Li-ions, and 1093, 801, and 671 mAh/g for Na-ions in ZrTiS4, HfTiS4, and HfZrS4, respectively. Average voltages are 1.16 V, 0.9 V, and 0.94 V for Li-ions and 1.17 V, 1.02 V, and 0.94 V for Na-ions across these materials. Additionally, low migration energy barriers of 0.231 eV, 0.233 eV, and 0.238 eV for Li and 0.135 eV, 0.136 eV, and 0.147 eV for Na make ABS4 monolayers highly attractive for battery applications. These findings underscore the potential of monolayer ABS4 as a superior electrode material, combining high adsorption energy, low diffusion barriers, low voltage, high specific capacity, and outstanding electrical conductivity.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547295/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced Degradation of Norfloxacin Under Visible Light by S-Scheme Fe₂O₃/g-C₃N₄ Heterojunctions. S-Scheme Fe2O3/g-C3N4 异质结在可见光下增强诺氟沙星的降解能力

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215212

Guang Lu, Wei Li, Zheng Li, Guizhou Gu, Qiuju Han, Jiling Liang, Zhen Chen

{"title":"Enhanced Degradation of Norfloxacin Under Visible Light by S-Scheme Fe2O3/g-C3N4 Heterojunctions.","authors":"Guang Lu, Wei Li, Zheng Li, Guizhou Gu, Qiuju Han, Jiling Liang, Zhen Chen","doi":"10.3390/molecules29215212","DOIUrl":"10.3390/molecules29215212","url":null,"abstract":"S-scheme Fe2O3/g-C3N4 heterojunctions were successfully fabricated by the ultrasonic assistance method to remove norfloxacin (NOR) under visible light irradiation. The synthesized catalysts were well studied through various techniques. The obtained Fe2O3/g-C3N4 heterojunctions exhibited an optimal photocatalytic degradation of 94.7% for NOR, which was 1.67 and 1.28 times higher than using Fe2O3 and g-C3N4 alone, respectively. In addition, the kinetic constant of NOR removal with Fe2O3/g-C3N4 composites was about 0.6631 h-1, and NOR photo-deegradation was still 86.7% after four cycles. The enhanced photocatalytic activity may be mainly attributed to the formation of S-scheme Fe2O3/g-C3N4 heterojunctions with built-in electric fields, which were beneficial to the separation and transfer of photostimulated charge carriers. Furthermore, a possible photo-degradation mechanism of NOR for S-scheme Fe2O3/g-C3N4 heterojunctions is described.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547885/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624392","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Selectivity Control in Nitroaldol (Henry) Reaction by Changing the Basic Anion in a Chiral Copper(II) Complex Based on (S)-2-Aminomethylpyrrolidine and 3,5-Di-tert-butylsalicylaldehyde. 通过改变基于 (S)-2-Aminomethylpyrrolidine 和 3,5-二叔丁基水杨醛的手性铜(II)配合物中的碱性阴离子来控制硝基醛 (Henry) 反应的选择性。

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215207

Olga V Khromova, Lidiya V Yashkina, Nadezhda V Stoletova, Victor I Maleev, Yuri N Belokon, Vladimir A Larionov

引用次数: 0

On the Nature of the Interactions That Govern COV-2 Mutants Escape from Neutralizing Antibodies. 关于COV-2突变体逃避中和抗体的相互作用的性质

IF 4.2 2区化学

Molecules Pub Date : 2024-11-04 DOI: 10.3390/molecules29215206

Fredy Sussman, Daniel S Villaverde

{"title":"On the Nature of the Interactions That Govern COV-2 Mutants Escape from Neutralizing Antibodies.","authors":"Fredy Sussman, Daniel S Villaverde","doi":"10.3390/molecules29215206","DOIUrl":"10.3390/molecules29215206","url":null,"abstract":"The most fruitful prevention and treatment tools for the COVID-19 pandemic have proven to be vaccines and therapeutic antibodies, which have reduced the spread of the disease to manageable proportions. The search for the most effective antibodies against the widest set of COV-2 variants has required a long time and substantial resources. It would be desirable to have a tool that will enable us to understand the structural basis on which mutants escape at least some of the epitope-bound antibodies, a tool that may substantially reduce the time and resources invested in this effort. In this work, we applied a computational-based tool (employed previously by us to understand COV-2 spike binding to its cognate cell receptor) to the study of the effect of Delta and Omicron mutations on the escape tendencies. Our binding energy predictions agree extremely well with the experimentally observed escape tendencies. They have also allowed us to set forth a structural explanation for the results that could be used for the screening of antibodies. Lastly, our results explain the differences in molecular interactions that govern interaction of the spike variants with the receptor as opposed to those with antibodies.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"29 21","pages":""},"PeriodicalIF":4.2,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11547327/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142624543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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