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Analysis of chemical compound in essential oil from clove stem using the FTIR and GCMS methods

AIP Conference Proceedings 2023年第1期2738卷

作者： Hermin Pancasakti Kusumaningrum Galih Wiji Agung Fakhri Santo Khoirudin Lailatul Khoiriyah Ardian Fikri Amrullah Farah Hanifah Handika Arya Listyanto Muhammad Zainuri I. Nyoman Widiasa Indra Gunawan Biotechnology Study Program Biology Department Faculty of Science and Mathematics Diponegoro University Jl. Prof. Soedharto SH. Tembalang Semarang 50275 Indonesia Department of Chemical Engineering Faculty of Engineering Diponegoro University Jl. Prof. Soedharto SH. Tembalang Semarang 50275 Indonesia Chemistry Department Faculty of Science and Mathematics Diponegoro University Jl. Prof. Soedharto SH. Tembalang Semarang 50275 Indonesia Marine Laboratory Faculty of Fisheries and Marine Sciences Diponegoro University Jl. Prof. Soedharto SH. Tembalang Semarang 50275 Indonesia

Clove (Syzigium aromaticum) is an essential oil-producing plant which is widely found in Indonesia. Essential oil was made from it flower buds, leaves and stems for toothpaste, soaps, cosmetics, perfumes and cigarettes industries. Clove oil has been used in medicinal purposes for relieving pain, treating infection, easing digestive upset, dental and topical application. The objectives of the GC-MS analysis is to measure the type and content of compounds present in the clove stem sample, while the FT-IR analysis is to obtain the infrared spectrum on the clove stem sample through emission or absorption of solids, liquids. and gases in the sample. The chemical functional groups that were read through FT-IR on stem clove oil indicated that it contained aromatic compounds in the form of eugenol and eugenol acetate. The eugenol compound was the main component of the clove stem. The results of GC-MS analysis showed the chemical composition of clove oil consists of 28 compounds with the dominant components of clove oil are eugenol and caryophyllene (93% and 4.80%).

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Pillararene-Induced Intramolecular Through-Space Charge Transfer and Single-Molecule White-Light Emission

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Angewandte Chemie 2022年第19期134卷

作者： Qi Li Yitao Wu Jiajun Cao Yang Liu Zeju Wang Dr. Huangtianzhi Zhu Prof. Haoke Zhang Prof. Feihe Huang State Key Laboratory of Chemical Engineering Stoddart Institute of Molecular Science Department of Chemistry Zhejiang University Hangzhou 310027 China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311215 China MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and Engineering Zhejiang University Hangzhou 310027 China Guangdong Provincial Key Laboratory of Luminescence from Molecular Aggregates South China University of Technology Guangzhou 510640 China Green Catalysis Center and College of Chemistry Zhengzhou University Zhengzhou 450001 China

The fabrication of single-molecule white-light emission (SMWLE) materials has become a highly studied topic in recent years and through-space charge transfer (TSCT) is emerging as an important concept in this field. However, the preparation of ideal TSCT-based SMWLE materials is still a big challenge. Herein, we report a bifunctional pillar[5]arene ( TPCN-P5-TPA ) with a linear donor-spacer-acceptor structure and aggregation-induced emission (AIE) property. The bulky pillar[5]arene between the donor and acceptor induces a twisted conformation and a non-conjugated structure, resulting in intramolecular TSCT. In addition, the AIE feature and pillar[5]arene cavity endow TPCN-P5-TPA with responsiveness to viscosity and polar guests, by which the TSCT emission is triggered. The combination of blue locally-excited state emission and yellow TSCT emission of TPCN-P5-TPA generates SMWLE. Therefore, we provide a new and versatile strategy for the construction of TSCT-based SMWLE materials.

关键词： Donor–Acceptor Systems Pillararenes Supramolecular Chemistry Through-Space Charge Transfer White-Light Emission

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Author Correction: Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing

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Nature communications 2023年第1期14卷 158页

作者： Kerry Blair Muhammad Tehseen Vlad-Stefan Raducanu Taha Shahid Claudia Lancey Fahad Rashid Ramon Crehuet Samir M Hamdan Alfredo De Biasio Leicester Institute of Structural & Chemical Biology and Department of Molecular & Cell Biology University of Leicester Lancaster Rd Leicester LE1 7HB UK. Bioscience Program Division of Biological and Environmental Sciences and Engineering King Abdullah University of Science and Technology Thuwal 23955 Saudi Arabia. CSIC-Institute for Advanced Chemistry of Catalonia (IQAC) C/ Jordi Girona 18-26 08034 Barcelona Spain. Bioscience Program Division of Biological and Environmental Sciences and Engineering King Abdullah University of Science and Technology Thuwal 23955 Saudi Arabia. samir.hamdan@kaust.edu.sa. Leicester Institute of Structural & Chemical Biology and Department of Molecular & Cell Biology University of Leicester Lancaster Rd Leicester LE1 7HB UK. alfredo.debiasio@kaust.edu.sa. Bioscience Program Division of Biological and Environmental Sciences and Engineering King Abdullah University of Science and Technology Thuwal 23955 Saudi Arabia. alfredo.debiasio@kaust.edu.sa.

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Retraction notice to "Synthesize palladium nanoparticles from the macroalgae Sargassum fusiforme: An eco-friendly tool in the fight against plasmodium falciparum?" [Sci. Total Environ. 857 Part 3, (2022) 159517]

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The science of the total environment 2024年 957卷 177660页

作者： Chinnaperumal Kamaraj Chinnasamy Ragavendran R C Satish Kumar Sarvesh Sabarathinam Cittrarasu Vetrivel Mariyappan Vaithiyalingam Guilherme Malafaia Interdisciplinary Institute of Indian System of Medicine (IIISM) Drug Testing Laboratory Directorate of Research SRM Institute Science and Technology Kattankulathur 603 203 Tamil Nadu India. Department of Cariology Saveetha Dental College and Hospitals Chennai Tamil Nadu India. Carbon Capture Lab Department of Chemical Engineering SSN College of Engineering Kalavakkam Chennai 603110 Tamil Nadu India Department of Anatomy Saveetha Dental college and Hospital Saveetha institute of medical and Technical science Chennai Tamil N 600 007 India. Department of Chemistry SRM Institute of Science and Technology Kattankulathur Chengalpattu 603203 Tamilnadu India. Laboratory of Toxicology Applied to the Environment Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Conservation of Cerrado Natural Resources Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Ecology Conservation and Biodiversity Federal University of Uberlândia Uberlândia MG Brazil Post-Graduation Program in Biotechnology and Biodiversity Federal University of Goiás Goiânia GO Brazil.

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Unlocking the potential of bacterial cellulose: synthesis, functionalization, and industrial impact

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International Journal of Biological Macromolecules 2025年第Pt 3期311卷 143951页

作者： Kumaravel, Ashokkumar Lin, Shin-Ping Santoso, Shella Permatasari Shanmugasundaram, Saranya Hsu, Hsien-Yi Hsieh, Chang-Wei Chou, Yu-Chieh Lin, Hui-Wen Cheng, Kuan-Chen Institute of Food Science and Technology National Taiwan University Daan District Taipei10617 Taiwan School of Food Safety Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan Ph.D. Program in Drug Discovery and Development Industry Taipei Medical University 250 Wu-Hsing Street Taipei11031 Taiwan Chemical Engineering Master Program Widya Mandala Surabaya Catholic University Kalijudan 37 Surabaya60114 Indonesia Collaborative Research Center for Zero Waste and Sustainability Widya Mandala Surabaya Catholic University Kalijudan 37 Surabaya60114 Indonesia Department of Chemical Engineering Faculty of Engineering Widya Mandala Catholic University Surabaya Kalijudan 37 Surabaya60114 Indonesia Department of Chemical Engineering University of Ulsan 93 Daehak-ro Nam-gu Ulsan44610 Korea Republic of City University of Hong Kong Kowloon Tong Hong Kong Shenzhen Research Institute of City University of Hong Kong Shenzhen518057 China Department of Food Science and Biotechnology National Chung-Hsing University Taichung City40227 Taiwan Department of Food Science National Ilan University Yilan City260007 Taiwan Institute of Medicine Chung Shan Medical University Taichung40201 Taiwan Department of Medical Research Chung Shan Medical University Hospital Taichung40201 Taiwan Institute of Biotechnology National Taiwan University 1 Roosevelt Rd. Sec. 4 Taipei10607 Taiwan Department of Optometry Asia University 500 Lioufeng Rd. Wufeng Taichung41350 Taiwan Department of Medical Research China Medical University Hospital China Medical University 91 Hsueh-Shih Road Taichung40402 Taiwan Department of Food Science Fu Jen Catholic University 510 Zhongzheng Rd. Xinzhuang Dist. New Taipei City242062 Taiwan

In recent years, bacterial cellulose (BC), a crystalline and nanoscale fibrillar polymer, has garnered significant interest due to its superior physical, chemical, and mechanical properties compared to plant cellulose. Inherent features of BC, which include high biodegradability, mechanical strength, and biocompatibility, make it a suitable material for use in a wide variety of applications, particularly in the domains of biomedicine and environmental science. However, realizing its full potential requires targeted chemical or physical modifications. Recent developments have focused on in-situ and ex-situ BC modification for various applications. Incorporating functional compounds into cellulose during BC synthesis enhances its strength and functional properties. Additionally, the material properties of BC, such as water content, thermal stability, and antibacterial capabilities, can be enhanced through post-synthesis modifications, including chemical acetylation, phosphorylation, and integration with other biopolymers. Currently, the applicability of BC is being improved using new modification techniques, which involve genetically engineered strains to enhance polymer characteristics and market potential. The review highlights recent advancements in BC research and novel modification strategies that enhance its applications in advanced biomedical engineering and sustainable packaging. © 2025

关键词： Acetylation

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Front Cover: Interaction of a Jaundice Marker Molecule with a Redox-Modulatory Nano-Hybrid: A Combined Electrochemical and Spectroscopic Study toward the Development of a Theranostic Tool (ChemMedChem 14/2022)

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ChemMedChem 2022年第14期17卷

作者： Susmita Mondal Nivedita Pan Ria Ghosh Arpan Bera Dipanjan Mukherjee Tuhin Kumar Maji Anirudddha Adhikari Sangeeta Ghosh Prof. Chinmoy Bhattacharya Prof. Samir Kumar Pal Department of Chemical Biological and Macromolecular Sciences S. N. Bose National Centre for Basic Sciences Block JD Sector 3 Salt Lake Kolkata 700106 India Department of Biochemistry University of Calcutta 35 Ballygunge Circular Road Kolkata 700019 India Department of Chemistry Indian Institute of Engineering Science & Technology (IIEST) Botanical Garden Rd Botanical Garden Area Howrah 711103 India

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Correction: Biomass derived nitrogen functionalized carbon nanodots for nanomolar determination of levofloxacin in pharmaceutical and water samples

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Mikrochimica acta 2023年第7期190卷 269页

作者： Velusamy Arul Natarajan Sampathkumar Sindhuja Kotteeswaran Ponnusamy Arul Ahmed Muteb Aljuwayid Mohamed A Habila Mani Govindasamy Department of Chemistry Sri Eshwar College of Engineering (Autonomous) Coimbatore 641 202 Tamil Nadu India. kvarulchem6@***. Department of Chemistry Korea University 145 Anam-Ro Seongbuk-Gu Seoul South Korea. kvarulchem6@***. Department of Chemistry SSM College of Arts and Science Dindigul 624002 Tamil Nadu India. International PhD Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan. Department of Chemical Engineering and Biotechnology Institute of Biochemical and Biomedical Engineering National Taipei University of Technology Taipei 106 Taiwan ROC. vpsarul@***. Department of Chemistry College of Science King Saud University P. O. Box 2455 Riyadh 11451 Saudi Arabia. International PhD Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan. govindasamy420700@***. Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan. govindasamy420700@***. Department of Research and Innovation Saveetha School of Engineering SIMATS 602105 Chennai India. govindasamy420700@***.

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Cost-Benefit Analysis of Palm Kernel Shells as a Diesel Fuel Substitution for Hot-Mixed Asphalt

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IOP Conference Series: Materials science and engineering 2021年第1期1143卷

作者： Evi Gravitiani Nuri Resti Chayyani Sunu Herwi Pranolo Prabang Setyono Ary Setyawan Postgraduate Program on Economic and Development Studies Universitas Sebelas Maret Surakarta Indonesia Department of Chemical Engineering Universitas Sebelas Maret Surakarta Indonesia Department of Civil Engineering Universitas Sebelas Maret Surakarta Indonesia Department of Environmental Science Universitas Sebelas Maret Surakarta Indonesia

Indonesia is one of the biggest oil palm producing countries. Solid waste from processing palm oil into crude palm oil (CPO) includes palm shells. This palm shell waste can be used as an alternative to diesel fuel for aggregate heating. This study aims to analyze the investment of the use of palm shells as an asphalt burner replacing diesel. Primary data were obtained from field and laboratory identification. In contrast, secondary data were obtained from relevant agencies, the department of Public Development and Public Housing, PT Bara Energi Biomass and PT Damai Citra Mandiri. The method used is a quantitative descriptive analysis by calculating the annual costs and benefits over the machine's life, ten years. This study uses the Cost-Benefit Analysis. Four investment criteria are calculated: (1) Net Present Value (NPV), (2) Benefit-Cost Ratio (BCR), (3) Payback period (PbP), (4) Internal rate of return (IRR). The results found that palm shells' use as an asphalt burner for diesel substitutes showed high costs and top benefits. The calculation of economic feasibility with investment criteria shows that the NPV has a positive value, which means it is feasible. BCR shows a ratio of costs and benefits is more than one; it indicates that investment in asphalt production activities is feasible. The calculation of investment in replacing diesel fuel with palm shells shows a positive value of PbP since the first year. The internal rate of return shows that the investment value has met the minimum standard of general interest or replacement.

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Metrics for benchmarking and uncertainty quantification: Quality, applicability, and a path to best practices for machine learning in chemistry

arXiv

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arXiv 2020年

作者： Vishwakarma, Gaurav Sonpal, Aditya Hachmann, Johannes Department of Chemical and Biological Engineering University at Buffalo State University of New York BuffaloNY14260 United States Computational and Data-Enabled Science and Engineering Graduate Program University at Buffalo State University of New York BuffaloNY14260 United States New York State Center of Excellence in Materials Informatics BuffaloNY14203 United States

This review aims to draw attention to two issues of concern when we set out to make machine learning work in the chemical and materials domain, i.e., statistical loss function metrics for the validation and benchmarking of data-derived models, and the uncertainty quantification of predictions made by them. They are often overlooked or underappreciated topics as chemists typically only have limited training in statistics. Aside from helping to assess the quality, reliability, and applicability of a given model, these metrics are also key to comparing the performance of different models and thus for developing guidelines and best practices for the successful application of machine learning in chemistry. Copyright © 2020, The Authors. All rights reserved.

关键词： Benchmarking

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Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data

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Physical Review Materials 2020年第11期4卷 113805-113805页

作者： Katherine J. Harmon Kendra Letchworth-Weaver Alex P. Gaiduk Federico Giberti Francois Gygi Maria K. Y. Chan Paul Fenter Giulia Galli Applied Physics Graduate Program Northwestern University Evanston Illinois 60208 USA Center for Nanoscale Materials Argonne National Laboratory Lemont Illinois 60439 USA Pritzker School of Molecular Engineering University of Chicago Chicago Illinois 60637 USA Department of Physics and Astronomy James Madison University Harrisonburg Virginia 22807 USA Department of Computer Science University of California Davis California 95616 USA Chemical Sciences and Engineering Division Argonne National Laboratory Lemont Illinois 60439 USA Materials Science Division Argonne National Laboratory Lemont Illinois 60439 USA Department of Chemistry University of Chicago Chicago Illinois 60637 USA

Metal oxide/water interfaces play a crucial role in many electrochemical and photocatalytic processes, such as photoelectrochemical water splitting, the creation of fuel from sunlight, and electrochemical CO2 reduction. First-principles electronic structure calculations can reveal unique insights into these processes, such as the role of the alignment of the oxide electronic energy levels with those of liquid water. An essential prerequisite for the success of such calculations is the ability to predict accurate structural models of these interfaces, which in turn requires careful experimental validation. Here we report a general, quantitative validation protocol for first-principles molecular dynamics simulations of oxide/aqueous interfaces. The approach makes direct comparisons of interfacial x-ray reflectivity (XR) signals from experimental measurements and those obtained from ab initio simulations with semilocal and van der Waals functionals. The protocol is demonstrated here for the case of the Al2O3(001)/water interface, one of the simplest oxide/water interfaces. We discuss the technical requirements needed for validation, including the choice of the density functional, the simulation cell size, and the optimal choice of the thermodynamic ensemble. Our results establish a general paradigm for the validation of structural models and interactions at solid/water interfaces derived from first-principles simulations. While there is qualitative agreement between the simulated structures and the experimental best-fit structure, direct comparisons of simulated and measured XR intensities show quantitative discrepancies that derive from both bulk regions (i.e., alumina and water) as well as the interfacial region, highlighting the need for accurate density functionals to properly describe interfacial interactions. Our results show that XR data are sensitive not only to the atomic structure (i.e., the atom locations) but also to the electron-density distributions in bo

关键词： First-principles calculations Surface & interfacial phenomena Liquid-solid interfaces Electronic structure X-ray reflectivity

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