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Comparative Study of Aluminum Complexes Bearing N,N′-Diaryldioxalamidate and N,N′-Diaryldithiooxalamidate Ligands in Ring-Opening Polymerization of ϵ-Caprolactone

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Organometallics 2023年第19期42卷 2856-2866页

作者： Ganta, Prasanna Kumar Chang, Chun-Juei Chen, Hsing-Yin Kamaraj, Rajiv Sambandam, Anandan Lai, Yi-Chun Chu, Yu-Ting Ding, Shangwu Chen, Hsuan-Ying Department of Medicinal and Applied Chemistry Drug Development and Value Creation Research Center Kaohsiung Medical University Taiwan Kaohsiung80708 Taiwan Department of International Ph.D Program for Science National Sun Yat-Sen University Kaohsiung80424 Taiwan Nanomaterials and Solar Energy Conversion Lab Department of Chemistry National Institute of Technology Tiruchirappalli620015 India Department of Chemistry National Sun Yat-Sen University Kaohsiung80424 Taiwan Department of Medical Research Kaohsiung Medical University Hospital Kaohsiung80708 Taiwan

A series of Al catalysts with N,N′-diaryloxalamidate and N,N′-diaryldithiooxalamidate ligands were synthesized, and their ϵ-caprolactone polymerization rates were determined in this study. Of the Al complexes bearing N,N′-diaryldithiooxalamidate, [PhHNCS]2Al2Me4 exhibited the highest catalytic activity (conv. of poly-ϵ-caprolactone = 94%;[ϵ-caprolactone]:[[PhHNCS]2Al2Me4]:[benzyl alcohol] = 100:0.5:2 with [ϵ-caprolactone] = 2 M at 25 °C after 20 min), and of the Al complexes bearing N,N′-diaryldioxalamidate, [PhHNCO]2Al2Me4 exhibited the highest catalytic activity (conv. of poly-ϵ-caprolactone = 94%;[ϵ-caprolactone]:[OHAl2Me4]:[benzyl alcohol] = 100:0.5:2 with [ϵ-caprolactone] = 2 M at 25 °C after 30 min). The Al complexes bearing N,N′-diaryldithiooxalamidate demonstrated a greater catalytic activity (1.4-7.3-fold) than Al complexes bearing N,N′-diaryldioxalamidate. Density functional theory calculations revealed that [PhiPrNCS]2Al2(OMe)4 with a weaker Al-OMe bond and less repulsion of the highest transition state TS1 revealed the lower potential energy of TS1 compared to [PhiPrNCO]2Al2(OMe)4 and further exhibited a higher polymerization rate than [PhiPrNCO]2Al2(OMe)4 © 2023 American Chemical Society.

关键词： Catalyst activity

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Preparative, Extraction, and Analytical Methods for Simultaneous Determination of Legacy and Insensitive Munition (IM) Constituents in Aqueous, Soil or Sediment, and Tissue Matrices

Preparative, Extraction, and Analytical Methods for Simultan...

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作者： Crouch, R. A Smith, J. C Stromer, B. S Hubley, C. T Beal, S. A Lotufo, G. R Butler, A. D Wynter, M. T Rosado, D. A Russell, A. L Coleman, J. G Clausen, J. L Bednar, A. J ENGINEER RESEARCH AND DEVELOPMENT CENTER VICKSBURG MS STRATEGIC ENVIRONMENTAL RESEARCH AND DEVELOPMENT PROGRAM ALEXANDRIA VA

No standard method exists for determining levels of insensitive munition (IM) compounds in environmental matrices. This project resulted in new methods of extraction, analytical separation and quantitation of 17 legacy and 7 IM compounds, daughter products of IM, and other munition compounds absent from USEPA Method 8330B. Extraction methods were developed for aqueous (direct-injection and solid-phase extraction [SPE]), soil, sediment, and tissue samples using laboratory-spiked samples. Aqueous methods were tested on 5 water sources, with 23 of 24 compounds recovered within DoD QSM Ver5.2 limits. New solvent extraction (SE) methods enabled recovery of all 24 compounds from 6 soils within QSM limits, and a majority of the 24 compounds were recovered at acceptable levels from 4 tissues types. A modified chromatographic treatment method removed analytical interferences from tissue extracts. Two orthogonal high-performance liquid chromatography-ultraviolet (HPLC-UV) separation methods, along with an HPLC-mass spectrometric (HPLC-MS) method, were developed. Implementing these new methods should reduce labor and supply costs by approximately 50 , requiring a single extraction and sample preparation, and 2 analyses rather than 4. These new methods will support environmental monitoring of IM and facilitate execution of risk-related studies to determine long-term effects of IM compounds.

关键词： Chemistry Chemical elements Liquid chromatography Chemical synthesis Insensitive explosives Organic chemistry Environmental monitoring Environmental protection Explosives Mass spectrometry Energetic materials Environment Materials laboratories Munitions Engineering Material degradation processes Materials

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Structure-Guided Discovery of PD-1/PD-L1 Interaction Inhibitors: Peptide Design, Screening, and Optimization via Computation-Aided Phage Display Engineering

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Journal of Chemical Information and Modeling 2024年第5期64卷 1615-1627页

作者： Tseng, Tien-Sheng Lee, Chao-Chang Chen, Po-Juei Lin, Chiu-Yuen Chen, Wang-Chuan Lee, Yu-Ching Lin, Jiun-Han Chen, Kaun-Wen Tsai, Keng-Chang Institute of Molecular Biology National Chung Hsing University Taichung40202 Taiwan National Research Institute of Chinese Medicine Ministry of Health and Welfare Taipei11221 Taiwan The School of Chinese Medicine for Post Baccalaureate I-Shou University Kaohsiung824005 Taiwan Department of Chinese Medicine E-Da Hospital Kaohsiung824005 Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei11031 Taiwan Ph.D. Program in Medical Biotechnology College of Medical Science and Technology Taipei Medical University Taipei11031 Taiwan Department of Industrial Technology Ministry of Economic Affairs Taipei100210 Taiwan Food Industry Research and Development Institute Hsinchu30062 Taiwan Molecular Science and Digital Innovation Center Genetics Generation Advancement Corporation Taipei11949 Taiwan

Cancer immunotherapy harnesses the immune system to combat tumors and has emerged as a major cancer treatment modality. The PD-1/PD-L1 immune checkpoint modulates interactions between tumor cells and T cells and has been extensively targeted in cancer immunotherapy. However, the monoclonal antibodies known to target this immune checkpoint have considerable side effects, and novel PD-1/PD-L1 inhibitors are therefore required. Herein, a peptide inhibitor to disrupt PD-1/PD-L1 interactions was designed through structure-driven phage display engineering coupled to computational modification and optimization. BetaPb, a novel peptide library constructed by using the known structure of PD-1/PD-L, was used to develop inhibitors against the immune checkpoint, and specific peptides with high affinity toward PD-1 were screened through enzyme-linked immunosorbent assays, homogeneous time-resolved fluorescence, and biolayer interferometry. A potential inhibitor, B8, was preliminarily screened through biopanning. The binding affinity of B8 toward PD-1 was confirmed through computation-aided optimization. Assessment of B8 variants (B8.1, B8.2, B8.3, B8.4, and B8.5) demonstrated their attenuation of PD-1/PD-L1 interactions. B8.4 exhibited the strongest attenuation efficiency at a half-maximal effective concentration of 0.1 μM and the strongest binding affinity to PD-1 (equilibrium dissociation constant = 0.1 μM). B8.4 outperformed the known PD-1/PD-L1 interaction inhibitor PL120131 in disrupting PD-1/PD-L1 interactions, revealing that B8.4 has remarkable potential for modification to yield an antitumor agent. This study provides valuable information for the future development of peptide-based drugs, therapeutics, and immunotherapies for cancer. © 2024 American Chemical Society.

关键词： Peptides

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Smart village concept in Indonesia: ICT as determining factor

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Heliyon 2025年第1期11卷 e41657页

作者： Susilowati, Anindya Puteri Eka Rachmawati, Rini Rijanta, R. Graduate Program on Regional Development Faculty of Geography Universitas Gadjah Mada Yogyakarta 55281 Indonesia Smart City Village and Region Research Group Department of Development Geography Faculty of Geography Universitas Gadjah Mada Yogyakarta 55281 Indonesia Department of Development Geography Faculty of Geography Universitas Gadjah Mada Yogyakarta 55281 Indonesia

Village development in Indonesia has become the national development agenda prioritized in conjunction with the enactment of the Village Law in 2014. Village development through smart village is considered relevant to the current era's progress and rapid technological advancements. Smart village is often defined as the concept of village development based on the utilization of information and communication technology (ICT). This research aims to identify the locations of smart village and analyze the role of ICT as determining factor for the smart village concept in Indonesia. The data on smart village locations are collected from the regulations of the Ministry of Village and literature obtained through internet browsing. The research was conducted using a quantitative descriptive approach and supported by spatial analysis. The exploration of determining factors for the smart village concept involves 12 variables sourced from the Village Potential data in 2021 and analyzed statistically using factor analysis. The results indicate that there are 1.424 villages developed as smart village until 2023 and their locations are spread across 32 provinces on all islands in Indonesia. The results show that ICT is one of the determining factors in the smart village concept in Indonesia through the utilization of village information systems in government (explained 15,972 % variance), community interest in ICT (explained 10,628 % variance), and the availability of communication access (explained 8509 % variance). However, ICT is not the only determining factor, but there are also internal village factors: community participation (explained 11,299 % variance) and leadership (explained 9137 % variance). From these findings, it implies that smart village development policies need to pay attention to the conditions of society as the subject and object of development, supported by the government's ability to provide adequate infrastructure. This research is a pioneer and provides r

关键词： Determining factor Information and communication technology Smart village Sustainable cities and communities Village development

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Antioxidant Activities and Characterization of Polyphenols from Selected Northern Thai Rice Husks: Relation with Seed Attributes

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Rice science 2023年第2期30卷 148-159,I0039页

作者： Jiratchaya WISETKOMOLMAT Chaiwat ARJIN Surat HONGSIBSONG Warintorn RUKSIRIWANICH Chutamat NIWAT Pimsiri TIYAYON Sansanee JAMJOD Supapohn YAMUANGMORN Chanakan PROM-U-THAI Korawan SRINGARM Department of Animal and Aquatic Sciences Faculty of AgricultureChiang Mai UniversityChiang Mai 50200Thailand School of Health Science Research Research Institute for Health SciencesChiang Mai UniversityChiang Mai 50200Thailand Department of Pharmaceutical Sciences Faculty of PharmacyChiang Mai UniversityChiang Mai 50200Thailand Food Science and Technology Program School of Agro-IndustryMae Fah Luang UniversityChiang Rai 57100Thailand School of Agricultural Resources Chulalongkorn UniversityBangkok 10330Thailand Agronomy Division Department of Plant and Soil SciencesFaculty of AgricultureChiang Mai UniversityChiang Mai 50200Thailand Lanna Rice Research Center Chiang Mai UniversityChiang Mai 50200Thailand Cluster of Research and Development of Pharmaceutical and Natural Products Innovation for Human or Animal Chiang Mai UniversityChiang Mai 50200Thailand

Rice production generates a significant amount of agricultural waste. This study aimed to give results related to the existence of antioxidant phenols in agricultural waste of selected Northern Thai rice varieties. The antioxidant activities, contents of total flavonoids and phenolic compounds in the ethanolic rice husk extract were evaluated. The highest antioxidant activities were found in the variety PES1CMU, with 2,2’-azinobis-3-ethyl-benzothiazoline-6-sulfonic acid and 2,2-diphenyl-1-picrylhydrazyl as 679.66 and 4.16 mmol/(L·g) trolox equivalent, respectively, ferric reducing antioxidant power as 0.87 mmol/(L·g) Fe2+, total phenolic content as 29.90 mmol/(L·g) gallic acid and total flavonoid content as 12.16 mg/g catechin equivalent. Polyphenol compounds were identified mainly by standard polyphenols using the liquid chromatography mass spectrometry, with the highest contents of phytic acid, o-coumaric acid, naringin and kaempferol. The non-glutenous and wetland ecotypes of rice husk samples were the richest in antioxidant activities and polyphenol contents characterized by using principal component analysis. The glutenous rice husk contained higher antioxidant activities than the rest. Interestingly, quercetin is a significant phenolic compound that positively correlated with the overall antioxidant activities of rice husk. This finding will be relevant for future application of rice husk antioxidant components in the production of functional ingredients as well as for the food and pharmaceutical industries.

关键词： antioxidant agri-waste polyphenol rice husk seed characteristic Thai rice

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Anomaly Detection for Industrial Applications, Its Challenges, Solutions, and Future Directions: A Review

arXiv

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arXiv 2025年

作者： Alzarooni, Abdelrahman Iqbal, Ehtesham Khan, Samee Ullah Javed, Sajid Moyo, Brain Abdulrahman, Yusra Advanced Research and Innovation Center Khalifa University of Science and Technology Abu Dhabi United Arab Emirates Department of Computer Science Khalifa University of Science and Technology Abu Dhabi United Arab Emirates Research & Development Program Sanad Aerotech Abu Dhabi United Arab Emirates

Anomaly detection from images captured using camera sensors is one of the mainstream applications at the industrial level. Particularly, it maintains the quality and optimizes the efficiency in production processes across diverse industrial tasks, including advanced manufacturing and aerospace engineering. Traditional anomaly detection workflow is based on a manual inspection by human operators, which is a tedious task. Advances in intelligent automated inspection systems have revolutionized the Industrial Anomaly Detection (IAD) process. Recent vision-based approaches can automatically extract, process, and interpret features using computer vision and align with the goals of automation in industrial operations. In light of the shift in inspection methodologies, this survey reviews studies published since 2019, with a specific focus on vision-based anomaly detection. The components of an IAD pipeline that are overlooked in existing surveys are presented, including areas related to data acquisition, preprocessing, learning mechanisms, and evaluation. In addition to the collected publications, several scientific and industry-related challenges and their perspective solutions are highlighted. Popular and relevant industrial datasets are also summarized, providing further insight into inspection applications. Finally, future directions of vision-based IAD are discussed, offering researchers insight into the state-of-the-art of industrial inspection. © 2025, CC BY.

关键词： Inspection

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Determination of Residual Low-Order Detonation Particle Characteristics from Composition B Mortar Rounds

Determination of Residual Low-Order Detonation Particle Char...

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作者： Bigl, M. F Beal, S. A Ramsey, C. A Engineer Research and Development Center (U.S.) Hanover NH ENVIRONMENTAL SECURITY TECHNOLOGY CERTIFICATION PROGRAM ALEXANDRIA VA U.S. Army Engineer Research and Development Center Hanover NH

Empirical measurements of the spatial distribution, particle-size distribution, mass, morphology, and energetic composition of particles from low-order (LO) detonations are critical to accurately characterizing environ-mental impacts on military training ranges. This study demonstrated a method of generating and characterizing LO-detonation particles, previously applied to insensitive munitions, to 81 mm mortar rounds containing the conventional explosive formulation Composition B. The three sampled rounds had estimated detonation efficiencies ranging from 64 to 82 as measured by sampled residual energetic material. For all sampled rounds, energetic deposition rates were highest closer to the point of detonation; however, the mass per radial meter varied. The majority of particles (>60 ), by mass, were <2 mm in size. However, the spatial distribution of the <2 mm particles from the point of detonation varied be-tween the three sampled rounds. In addition to the particle-size-distribution results, several method performance observations were made, including command-detonation configurations, sampling quality control, particle-shape influence on laser-diffraction particle-size analysis (LD-PSA), and energetic purity trends. Overall, this study demonstrated the successful characterization of Composition B LO-detonation particles from command detonation through combined analysis by LD-PSA and sieving.

关键词： Liquid chromatography Explosives Environment Energetic materials Environmental protection Explosive ordnance disposal Insensitive explosives Materials laboratories Plastic explosives High explosives Mortar ammunition Munitions Propellants Ammunition Diffraction Engineering Material degradation processes

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Live-Fire Validation of Command-Detonation Residues Testing Using a 60 mm IMX-104 Munition

Live-Fire Validation of Command-Detonation Residues Testing ...

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作者： Beal, S. A Bigl, M. F Ramsey, C. A Engineer Research and Development Center (U.S.) Hanover NH ENVIRONMENTAL SECURITY TECHNOLOGY CERTIFICATION PROGRAM ALEXANDRIA VA U.S. Army Engineer Research and Development Center Hanover NH

Command detonation (i.e., static firing) provides a method of testing munitions for their postdetonation residues early in the acquisition process. However, necessary modifications to the firing train and cartridge orientation raise uncertainty whether command detonation accurately represents residue deposition as it occurs during live-fire training. This study collected postdetonation residues from live-fired 60 mm IMX-104 mortar cartridges and then compared estimated energetic-compound deposition rates between live fire and prior command detonations of the same munition. Average live-fire deposition rates of IMX-104 compounds determined from 11 detonations were 3800 mg NTO (3-nitro-1,2,4-triazol-5-one), 34 mg DNAN (2,4-dinitroanisole), 12 mg RDX (1,3,5-Trinitroperhydro-1,3,5-Triazine), and 1.9 mg HMX (1,3,5,7-Tetranitro-1,3,5,7-Tetrazocane) per cartridge. Total live-fire residue deposition (mean standard deviation: 3800 900 mg/cartridge) was not significantly different from command detonation using a representative fuze simulator (3800 900 mg/cartridge, n = 7, p = 0.76) but was significantly different from command detonation using a simplified fuze simulator (2200 500 mg/cartridge, n = 7, p < 0.01). While the dominant residue compound NTO was broadly similar between live fire and command detonation, the minor residue compounds RDX and DNAN were underestimated during command detonation by a factor of approximately three to seven.

关键词： Insensitive explosives Explosives Materials laboratories Explosive ordnance disposal Materials Materials science Materials testing Munitions Propellants Test methods Energetic materials Engineering Material degradation processes Materials processing Simulators Acquisition Engineers

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Benign Phosphorous Polymer-Based Fire Suppression Additives;Functional Additives and Foam Formation to Enhance PFAS Free Fire Suppressants for Military Use

Benign Phosphorous Polymer-Based Fire Suppression Additives;...

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作者： Reinke, E. N Adams, V. H Army Public Health Center Aberdeen Proving Ground MD STRATEGIC ENVIRONMENTAL RESEARCH AND DEVELOPMENT PROGRAM ALEXANDRIA VA

Multiple facilities are investigating the feasibility of utilizing fluorine-free AFFF as replacements to fluorine containing mixtures; however, they have thus far been unable to meet MIL-PRF-24385(SH) requirements. The purpose of this toxicity assessment is to evaluate the potential toxicities of eight different phosphonate-based polymers for addition to fluorine-free AFFFs in order to help improve performance while reducing environmental and human toxicity concerns.

关键词： Toxicity Physical properties Environment Environmental protection Genotoxicity Additives (chemicals) Department of defense Lethal dosage Phosphonic acids Vapor pressure Fire suppression Toxicology Birds Fires Health Operating systems Public health

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IoT: Monitoring Temperature, Water pH, and Automatic Water Drainage Systems for Gurami Cultivation

IoT: Monitoring Temperature, Water pH, and Automatic Water D...

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Networking, Electrical Engineering, Computer Science, and Technology (IConNECT), International Conference on

作者： Heni Sulistiani Wijaya Saputra Dedi Darwis Auliya Rahman Isnain Ardy Rimanda Putra Yosi Khairunisa Study Program of Accounting Information System Universitas Teknokrat Indonesia Lampung Indonesia Study Program of Computer Engineering Universitas Teknokrat Indonesia Lampung Indonesia Study Program of Informatics Universitas Teknokrat Indonesia Lampung Indonesia Regional Research and Development Agency Lampung Province (Balitbangda) Lampung Indonesia

Gurami is a native fish from Indonesian waters that is much-loved by Indonesian people for daily food consumption. The gurami inhabits still waters such as swamps, lakes, and ponds. Besides that, carp cannot live in a water content that is too alkaline or acidic, the oxygen content in the water must be stable. Water quality is a very important factor and can affect the survival of cultivated fish. Several parameters must be considered in improving the development of carp, one of which is the temperature and pH of the water and automatic drainage of water. In this paper, we conduct IoT-based research that focuses on controlling water temperature and pH and automatically draining pool water. Water temperature and pH control such as a pH sensor temperature sensor and a water turbidity sensor will later be connected to the ESP 32 microcontroller which already has a wi-fi module. A system that is linked to electrical power and the internet then the sensor will read the water quality including the pH temperature value and water turbidity from inside the fish pond, after getting the data, the data will go to ESP 32. This research can help gurami cultivating farmers to make it easy to control the pH temperature and perform automatic pool water draining. The results of sensor testing with actual data are pretty accurate with the average error value of the ds18b20 sensor being 0.05% while the value of the pH sensor itself is 0.07%.

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