Chemistry最新文献

{"title":"Progress and Perspectives of Conducting Metal–Organic Frameworks for Electrochemical Energy Storage and Conversion","authors":"Minggui Li, Guangxun Zhang, Yuxin Shi, Huijie Zhou, Yongcai Zhang, Huan Pang","doi":"10.3390/chemistry5040161","DOIUrl":"https://doi.org/10.3390/chemistry5040161","url":null,"abstract":"The metal–organic framework (MOF) is a kind of porous material with lattice materials. Due to its large surface area and structural diversity, it has made great progress in the fields of batteries, capacitors, electrocatalysis, etc. Conductive MOF (c-MOF) increases the conductivity based on the original advantages of the MOF, which is more suitable for the development of batteries, capacitors, electrocatalysis, and other fields. This review summarizes the preparation of c-MOF and the research progress of conductive MOFs in the field of electrochemical energy storage and conversion.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"39 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135086870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances in the Preparation and Application of DNA-Encoded Metal Nanoclusters","authors":"Fang Yin, Jiangtao Ren, Erkang Wang","doi":"10.3390/chemistry5040160","DOIUrl":"https://doi.org/10.3390/chemistry5040160","url":null,"abstract":"DNA as an intriguing organic ligand has been widely employed for synthesizing metal nanoclusters and engineering their properties. This review aims to present recent progress on DNA-encoded metal (Ag, Cu, Au, Ag/Pt, Cu/Ag, etc.) nanoclusters (DNA-MNCs), focusing on their applications in the fields of analysis, logic operation, and therapy based on properties including fluorescence, electrochemiluminescence (ECL), and antibacterial and catalytic activity, and summarizes the attractive features of the latest research. The key points are briefly described as follows. (1) Analytical systems have been constructed based on fluorescence regulation, and nuclease-assisted and enzyme-free amplification strategies have been extensively adopted with fluorescent DNA-MNCs for amplified analysis. (2) DNA-MNCs may play more than one role (emitter, quencher, or catalyst) in ECL-based analytical systems. (3) Apart from antibacterial activity, DNA-MNCs also possess apparent catalytic capability, such as enzyme-like activity (i.e., nanozymes), which has been applied in colorimetric systems. (4) Reversibly regulating the catalytic activity of DNA-MNCs has been attained with DNA systems. It is believed that through in-depth investigation of the relationship between atomic structure and property, more novel DNA-MNCs will be explored and applied in the future.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":" 42","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135191083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Condensed DNA Nanosphere for DNA Origami Cryptography","authors":"Rui Gao, Zhuang Cai, Jianbang Wang, Huajie Liu","doi":"10.3390/chemistry5040159","DOIUrl":"https://doi.org/10.3390/chemistry5040159","url":null,"abstract":"Maintaining the confidentiality and integrity of the messages during a transmission is one of the most important aims of encrypted communication systems. Many achievements were made using biomolecules to improve the quality of the messages in communication. At the same time, it is still a challenge to construct cooperative communications based on the interactions between biomolecules to achieve the confidentiality and integrity of the transmitted messages. DNA-based encrypted communications have been developed, and in particular, DNA-origami-based message encryption can combine steganography and pattern encryption and exhibits extremely high confidentiality. Nevertheless, limited by biological characteristics, encrypted messages based on DNA require a strict storage environment in the process of transmission. The integrity of the message encoded in the DNA may be damaged when the DNA is in an unfriendly and hard environment. Therefore, it is particularly significant to improve the stability of DNA when it is exposed to a harsh environment during transmission. Here, we encoded the information into the DNA strands that were condensed for encryption to form a nanosphere covered with a shell of SiO2, which brings high-density messages and exhibits higher stability than separated DNA. The solid shell of SiO2 could prevent DNA from contacting the harsh environment, thereby protecting the DNA structure and maintaining the integrity of the information. At the same time, DNA nanospheres can achieve high throughput input and higher storage density per unit volume, which contribute to confusing the message strand (M-strand) with the interference strand in the stored information. Condensing DNA into the nanosphere that is used for DNA origami cryptography has the potential to be used in harsh conditions with higher confidentiality and integrity for the transmitted messages.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"49 8","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135430507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Stereoselective Synthesis of a Novel Series of Dispiro-oxindolopyrrolizidines Embodying Thiazolo[3,2-a]benzimidazole Motif: A Molecular Electron Density Theory Study of the Mechanism of the [3 + 2] Cycloaddition Reaction","authors":"Assem Barakat, Saeed Alshahrani, Abdullah Mohammed Al-Majid, Abdullah Saleh Alamary, M. Ali, Mar Ríos-Gutiérrez","doi":"10.3390/chemistry5040158","DOIUrl":"https://doi.org/10.3390/chemistry5040158","url":null,"abstract":"A one-pot multi-component reaction was employed for the stereoselective synthesis of a novel set of dispiro-oxindolopyrrolizidines analogs incorporating a thiazolo[3,2-a]benzimidazole scaffold based on the [3 + 2] cycloaddition (32CA) reaction approach. The desired novel dispiro-oxindolopyrrolizidines 9a–d were achieved using the 32CA reaction of new ethylene derivatives based on thiazolo[3,2-a]benzimidazole moiety seven with thiazolidine derivatives eight and different substituted isatin compounds 5a–d (R = H, Cl, NO2, and Br). The final dispiro-oxindolopyrrolizidines cycloadducts were separated, purified, and fully characterized by means of a set of spectroscopic tools including IR, HNMR, CNMR, and MS. The Molecular Electron Density Theory (MEDT) was applied to explain the mechanism and stereoselectivity in the of the key 32CA reaction step. The reactive pseudo(mono)radical electronic structure of the in situ generated azomethine ylides and the high polar character of the corresponding 32CA reactions account for the low computed activation Gibbs free energies and total endo stereoselectivity of this kinetically controlled exergonic reaction. The computed relative Gibbs free activation energies of competitive reaction paths and regioisomers ratio distribution of 80:20 justify the major formation of 9a via the most favorable ortho/endo reaction path.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135589617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical Evaluation of the Properties of Nitrogen-Doped C24 Fullerenes and Their Interactions with Two Adamantane-Derived Antivirals","authors":"Oana-Raluca Pop, Adina Căta, Ioana Maria Carmen Ienașcu","doi":"10.3390/chemistry5040157","DOIUrl":"https://doi.org/10.3390/chemistry5040157","url":null,"abstract":"The replacement of carbon with a heteroatom within the structure of a fullerene gives the possibility of obtaining compounds with adjustable properties. The influence of aza-substitution on C24 fullerenes was investigated and a comparison of HF and DFT calculations was performed. Various substitution patterns were proposed and the characterization of C22N2 and C20N4 structures was performed. Global reactivity descriptors like chemical potential, hardness, HOMO–LUMO gap and singlet–triplet gap were computed. Aromaticity descriptors like delocalization indices and NICS(0) index were employed for the characterization of each six-membered ring of the studied fullerenes. The possible use of aza-fullerenes as drug delivery systems for two adamantane-derived antivirals was evaluated through molecular docking studies. The best results were obtained for the fullerenes with a pronounced hydrophobic character, the favored configuration of the antiviral drugs being the one oriented toward the side consisting of carbon atoms of the fullerenes.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"47 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135975858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of D-Fructose-Based Bifunctional Primary Amine-Thiourea Organocatalysts and Their Applications in Asymmetric Reactions","authors":"Samson Lalhmangaihzuala, Vanlalngaihawma Khiangte, Zathang Laldinpuii, Lal Nunnemi, Joute Malsawmsanga, Gospel Lallawmzuali, Thanhming Liana, Chhakchhuak Lalhriatpuia, Zodinpuia Pachuau, Khiangte Vanlaldinpuia","doi":"10.3390/chemistry5040156","DOIUrl":"https://doi.org/10.3390/chemistry5040156","url":null,"abstract":"The preparation of a new class of six bifunctional thiourea organocatalysts having a D-fructose scaffold and a primary amino group was demonstrated. In the present study, the novel organocatalysts exhibited excellent enantio- and moderate diastereoselectivities in the asymmetric Michael addition of aliphatic ketones and 1,3-diketone to substituted nitroolefins at room temperature. In addition, the direct asymmetric aldol reaction between cyclic aliphatic ketone and aromatic aldehydes was also studied in the presence of the saccharide-thiourea organocatalysts giving excellent yield with moderate enantioselectivity.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"75 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135413245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Achillea fragrantissima Essential Oil, Wild Grown in Saudi Arabia and Egypt: Detailed Comparative Chemical Profiling, and Evaluation of Allelopathic, Antioxidant, and Antibacterial Activities","authors":"Ahmed M. Abd-ElGawad, Rania F. Ahmed, Abdelsamed I. Elshamy, Eslam G. Sadek, Abdulaziz M. Assaeed, Giuliano Bonanomi, Abd El-Nasser G. El Gendy, Yasser A. El-Amier","doi":"10.3390/chemistry5040155","DOIUrl":"https://doi.org/10.3390/chemistry5040155","url":null,"abstract":"One of the biologically beneficial oils against many ailments is Achillea fragrantissima essential oil (EO). The current study focused on the comprehensive comparative chemical characterization of A. fragrantissima EOs, which were gathered from Saudi Arabia and Egypt, as well as evaluation of their allelopathic, antioxidant, and antibacterial functions. With a respective total oil mass of 96.9% and 96.1%, 40 compounds were found in the EOs from Saudi Arabia (38 compounds) and Egypt (26 compounds). Terpenes represented the main constituents including mono- (52.6% and 75.4% from Saudi Arabia and Egypt, respectively) and sesquiterpenoids (42.1% and 19.7%, respectively). The α-thujone (12.0%), myrcenyl acetate (10.3%), alloaromadendrene oxide-(1) (5.9%), artemisia ketone (4.9%), β-thujone (4.7%), lavandulol (4.2%), and santolina alcohol (4.0%) represented the main components of the overall oil of the Saudi Arabian plant-derived EO. However, the main constituents of the EO of the Egyptian plant were 4-terpineol (17.4%), myrcenyl acetate (9.1%), artemisia ketone (9.0%), α-thujone (8.6%), yomogi alcohol (6.2%), santolina alcohol (6.2%), and β-thujone (5.8%). The chemometric analysis exhibited a strong association between the two EOs from Saudi Arabia and Egypt in addition to the samples collected from Jordan. The Saudi and Egyptian A. fragrantissima’ EOs were found to have significant allelopathic potencies against the weed C. murale. The seed germination, seedling shoot growth, and root growth of C. murale were all reduced by the EO of the Saudi ecospecies by 79.9, 56.7, and 68.6%, respectively, with IC50 values of 66.5, 68.0, and 69.2 µL L−1, respectively. The two oils from Saudi Arabia and Egypt exhibited potent antioxidant activity against the DPPH free radicals, with IC50 values of 30.94 and 28.72 mg/L, respectively. In addition, the two oils from Saudi Arabia and Egypt exhibited strong abilities to scavenge ABTS radicals with respective IC50 values of 39.02 and 37.13 mg/L. Additionally, the two EOs showed a much higher antibacterial activity than the antibiotics tested against all bacterial strains, with the exception of Enterobacter cloacae. The two oils exhibited antibacterial activity against the examined strains, except Bacillus subtilis and Salmonella typhimurium, for which the Egyptian species shown greater inhibition. The results revealed that Escherichia coli and Staphylococcus epidermidis were more sensitive, while Enterobacter cloacae was more resistant.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"46 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135461530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation and Application of Green Sustainable Solvent Cyrene","authors":"Yadong Wang, Mingfei Dai, Gang Luo, Jiajun Fan, James H. Clark, Shicheng Zhang","doi":"10.3390/chemistry5040154","DOIUrl":"https://doi.org/10.3390/chemistry5040154","url":null,"abstract":"The bio-based solvent dihydrolevoglucosenone (Cyrene) is a green and sustainable alternative to petroleum-based dipolar aprotic solvents. Cyrene can be prepared from cellulose in a simple two-step process and can be produced in a variety of yields. Cyrene is compatible with a large number of reactions in the chemical industry and can be applied in organic chemistry, biocatalysis, materials chemistry, graphene and lignin processing, etc. It is also green, non-mutagenic and non-toxic, which makes it very promising for applications. In this paper, we have also screened all articles related to Cyrene on the Web of Science and visualised them through Cite Space.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"22 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135512020","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vinyl Esters and Vinyl Sulfonates as Green Alternatives to Vinyl Bromide for the Synthesis of Monosubstituted Alkenes via Transition-Metal-Catalyzed Reactions","authors":"Tomáš Tobrman","doi":"10.3390/chemistry5040153","DOIUrl":"https://doi.org/10.3390/chemistry5040153","url":null,"abstract":"This review summarizes the applications of vinyl sulfonate and vinyl acetate as green alternatives for vinyl bromide in cross-coupling reactions. In the first part, the preparation of vinyl sulfonates and their cross-coupling reactions are briefly discussed. Then, a brief review of vinyl acetate cross-coupling reactions, including cyclization reactions, the Fujiware–Moritani reaction, and transvinylation reactions are described.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135569725","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Characterization of a Self-Crosslinked Organic Copolymer Kappa-Carrageenan/Polyacrylamide/Cetrimide (κ-CAR/PAAm/CI) Hydrogel with Antimicrobial and Anti-Inflammatory Activities for Wound Healing","authors":"Fatimah A. Agili, Sahera F. Mohamed","doi":"10.3390/chemistry5040152","DOIUrl":"https://doi.org/10.3390/chemistry5040152","url":null,"abstract":"The current study aimed to produce a material that has dual effects of healing and anti-inflammatory activity. For this purpose, a κ-carrageenan/polyacrylamide film loaded with cetrimide (κ-CAR/PAAm/CI) was developed using the manual casting technique. Definite concentrations of κ-CAR and AAm were heated at 80 °C for 2 h, and CI and glycerol were added. The solution was cast without using an initiator or crosslinker. The reaction of the sulfonic acid group -SO3H of κ-CAR with the –CONH2 group of PAAm lead to the formation of a sulfonamide (–SO2NH–) group. The characteristics of the produced films were investigated based on FT-IR, TGA, the contact angle, and mechanical properties. An improvement in the thermal stability of the κ-CAR/PAAm/CI2 film containing 1.5% CI was achieved, compared to the film with 0.5% CI (κ-CAR/PAAm/CI1). The contact angle measurement proved that the films were hydrophobic, enhanced by increasing the CI content. The tensile strength and elongation percent values are considered adequate for materials used in wound care. The κ-CAR/PAAm/CI2 (1.5% CI) film showed superior antimicrobial activity against P. aeruginosa, moderate activity against S. aureus, and low activity against E. coli. The κ-CAR/PAAm/CI2 film effectively inhibited heat-induced hemolysis and showed wound contraction activity at a level of 100% after 19 days of excision wound treatment. The prepared films may offer a promising approach for the development of effective wound dressings.","PeriodicalId":9850,"journal":{"name":"Chemistry","volume":"68 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135730439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}