IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-07 DOI: 10.1021/acsomega.4c0661710.1021/acsomega.4c06617

Justas Rodarte, Carly Baehr, Dustin Hicks, Morgan McGovern, Yue Zhang, Pedro Silva-Ortiz, Bryan Hannon, Sowmya Duddu, Marie Pancera* and Marco Pravetoni*,

{"title":"Structure-Based Engineering of Monoclonal Antibodies for Improved Binding to Counteract the Effects of Fentanyl and Carfentanil","authors":"Justas Rodarte, Carly Baehr, Dustin Hicks, Morgan McGovern, Yue Zhang, Pedro Silva-Ortiz, Bryan Hannon, Sowmya Duddu, Marie Pancera* and Marco Pravetoni*, ","doi":"10.1021/acsomega.4c0661710.1021/acsomega.4c06617","DOIUrl":"https://doi.org/10.1021/acsomega.4c06617https://doi.org/10.1021/acsomega.4c06617","url":null,"abstract":"The opioid overdose epidemic is a growing and evolving public health crisis fueled by the widespread presence of fentanyl and fentanyl analogues (F/FAs) in both street mixtures and counterfeit pills. To expand current treatment options, drug-targeting monoclonal antibodies (mAbs) offer a viable therapeutic for both pre- and postexposure clinical scenarios. This study reports the isolation, in vitro characterization, and in vivo efficacy of two murine mAb families targeting fentanyl, carfentanil, or both. Because humanization of the mAbs by CDR grafting negatively impacted affinity for both fentanyl and carfentanil, crystal structures of mAbs in complex with fentanyl or carfentanil were analyzed to identify key residues involved in ligand binding in murine versus humanized structures, and site-directed mutagenesis was used to verify their functional importance. The structural analysis identified a framework residue, Tyr36, present in the murine germline sequence of two mAbs, which was critical for binding to fentanyl and carfentanil. These studies emphasize the importance of structural considerations in mAb engineering to optimize mAbs targeting small molecules including opioids and other drugs of public health interest.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06617","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Effects of Mini-Spidroin Repeat Region on the Mechanical Properties of Artificial Spider Silk Fibers 小型蛛丝蛋白重复区对人造蛛丝纤维机械性能的影响

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-07 DOI: 10.1021/acsomega.4c0603110.1021/acsomega.4c06031

Benjamin Schmuck*, Gabriele Greco, Olga Shilkova and Anna Rising*,

{"title":"Effects of Mini-Spidroin Repeat Region on the Mechanical Properties of Artificial Spider Silk Fibers","authors":"Benjamin Schmuck*, Gabriele Greco, Olga Shilkova and Anna Rising*, ","doi":"10.1021/acsomega.4c0603110.1021/acsomega.4c06031","DOIUrl":"https://doi.org/10.1021/acsomega.4c06031https://doi.org/10.1021/acsomega.4c06031","url":null,"abstract":"Spiders can produce up to seven different types of silk, each with unique mechanical properties that stem from variations in the repetitive regions of spider silk proteins (spidroins). Artificial spider silk can be made from mini-spidroins in an all-aqueous-based spinning process, but the strongest fibers seldom reach more than 25% of the strength of native silk fibers. With the aim to improve the mechanical properties of silk fibers made from mini-spidroins and to understand the relationship between the protein design and the mechanical properties of the fibers, we designed 16 new spidroins, ranging from 31.7 to 59.5 kDa, that feature the globular spidroin N- and C-terminal domains, but harbor different repetitive sequences. We found that more than 50% of these constructs could be spun by extruding them into low-pH aqueous buffer and that the best fibers were produced from proteins whose repeat regions were derived from major ampullate spidroin 4 (MaSp4) and elastin. The mechanical properties differed between fiber types but did not correlate with the expected properties based on the origin of the repeats, suggesting that additional factors beyond protein design impact the properties of the fibers.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06031","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437134","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Direct Metal Transfer on Swellable Hydrogel with Dehydration-Induced Physical Adhesion 利用脱水诱导的物理粘合力在可膨胀水凝胶上进行直接金属转移

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-06 DOI: 10.1021/acsomega.4c0477410.1021/acsomega.4c04774

Shogo Himori*, Riku Takahashi, Aya Tanaka and Masumi Yamaguchi,

引用次数: 0

Recyclability of Zinc Palmitate-Based Composites in Fatty Acid Methyl Ester Production from Oil Feedstocks at Varied Acidity 棕榈酸锌复合材料在利用不同酸度的石油原料生产脂肪酸甲酯过程中的可回收性

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-06 DOI: 10.1021/acsomega.4c0274010.1021/acsomega.4c02740

Charoen Posa, Palmpapat Junpuek, Warisara Woranuch, Kittichai Chaiseeda, Kornkanya Pratumyot, Nongnuch Sungayuth and Siwaporn Meejoo Smith*,

{"title":"Recyclability of Zinc Palmitate-Based Composites in Fatty Acid Methyl Ester Production from Oil Feedstocks at Varied Acidity","authors":"Charoen Posa, Palmpapat Junpuek, Warisara Woranuch, Kittichai Chaiseeda, Kornkanya Pratumyot, Nongnuch Sungayuth and Siwaporn Meejoo Smith*, ","doi":"10.1021/acsomega.4c0274010.1021/acsomega.4c02740","DOIUrl":"https://doi.org/10.1021/acsomega.4c02740https://doi.org/10.1021/acsomega.4c02740","url":null,"abstract":"Zinc hydroxide nitrate (Zn5) is one of the layered metal hydroxide materials, which has been extensively reported as an effective bifunctional catalyst for biodiesel production from acidic oils. This report gives a comprehensive summary of the reactivity of Zn5 in the methanolysis of various oil feedstocks, plant oils, free fatty acids, and other acidic oils. Notably, as evidenced by this work, Zn5 is highly effective in converting acidic oils [palmitic acid/palm oil (PO)] to fatty acid methyl ester (FAME or biodiesel) at high yields ranging from 80 to 95%, withstanding acid content up to 10% without soap formation. The high FAME yields result from complex methanolysis and hydrolysis processes, e.g., transesterification of triglycerides in the PO, esterification of palmitic acid, and hydrolysis of the triglycerides. Despite this, Zn5 is nonrecyclable because it is unstable in the reaction media and transforms into zinc hydroxide nitrate/zinc palmitate (Zn5/ZnP) composites. The Zn5/ZnP composites were suitable for use in FAME production from PO at 100 °C for 2 h by using a methanol-to-oil molar ratio of 30:1, yielding high FAME yields of 97 and 70.7% in the first and fourth cycles, respectively. This study added better insight into how to effectively produce FAME from oil feedstocks of varying acidity by using zinc layered hydroxide- or zinc carboxylate-based materials.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c02740","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Hyaluronic Acid-Modified Luteolin–Copper Complex Nanodelivery System for Bacterial Prostatitis 治疗细菌性前列腺炎的透明质酸-改性木犀草素-铜复合物纳米给药系统

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-06 DOI: 10.1021/acsomega.4c0772410.1021/acsomega.4c07724

Ruixiao Li, Yunhe Zheng, Xuelian Li, Ruiping Su, Jiangchuan He, Song Xue, Ke Wang*, Yanyao Gao* and Jianxin Ni*,

{"title":"Hyaluronic Acid-Modified Luteolin–Copper Complex Nanodelivery System for Bacterial Prostatitis","authors":"Ruixiao Li, Yunhe Zheng, Xuelian Li, Ruiping Su, Jiangchuan He, Song Xue, Ke Wang*, Yanyao Gao* and Jianxin Ni*, ","doi":"10.1021/acsomega.4c0772410.1021/acsomega.4c07724","DOIUrl":"https://doi.org/10.1021/acsomega.4c07724https://doi.org/10.1021/acsomega.4c07724","url":null,"abstract":"Bacterial prostatitis is a common disease of the male genitourinary system, which seriously affects the normal life and health of male patients. Antibiotics are commonly used in the clinical treatment of bacterial prostatitis, but the efficacy of fluoroquinolones is gradually declining due to the increasing drug resistance of bacteria. Hence, it is necessary to find new antibacterial drugs to treat bacterial prostatitis. Luteolin is a natural flavonoid compound with many pharmacological activities such as antibacterial and anti-inflammatory activities, but its poor water solubility and low structural stability seriously limit its clinical application. In this study, we designed a targeting drug delivery system via a luteolin–copper complex grafted with hyaluronic acid. The results of the characterization proved the successful synthesis of the system. The results of the in vitro performance test show that the system has a good antibacterial effect and excellent blood compatibility and can be effectively released under different pH conditions. The prepared nanodrug delivery system not only provides a new idea for the treatment of bacterial prostatitis but also lays a theoretical and practical foundation for the wide application of luteolin in clinical practice.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07724","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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, Properties, and Techno-economic Analysis of Highly Stable Biotransformer Oil Derived from Transesterification of Palm Oil Methyl Esters and Ditrimethylolpropane 棕榈油甲酯和二三羟甲基丙烷酯交换反应生成的高稳定性生物转化油的合成、特性和技术经济分析

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-05 DOI: 10.1021/acsomega.4c0598710.1021/acsomega.4c05987

Ratchayol Sornvoralop, Benjapon Chalermsinsuwan, Nathapol Pintuyothin, Boonyawan Yoosuk* and Napida Hinchiranan*,

{"title":"Synthesis, Properties, and Techno-economic Analysis of Highly Stable Biotransformer Oil Derived from Transesterification of Palm Oil Methyl Esters and Ditrimethylolpropane","authors":"Ratchayol Sornvoralop, Benjapon Chalermsinsuwan, Nathapol Pintuyothin, Boonyawan Yoosuk* and Napida Hinchiranan*, ","doi":"10.1021/acsomega.4c0598710.1021/acsomega.4c05987","DOIUrl":"https://doi.org/10.1021/acsomega.4c05987https://doi.org/10.1021/acsomega.4c05987","url":null,"abstract":"Currently, biotransformer oil (BTO) is in high demand due to the increasing level of electrical power consumption and environmental policy. Hence, this research aimed to prepare a highly stable BTO via basic transesterification of palm oil methyl ester (POME) and ditrimethylolpropane (Di-TMP) catalyzed by sodium methoxide (NaOCH3). Under the optimal conditions (POME/Di-TMP molar ratio = 5.0/1.0, NaOCH3 loading = 8 mol % based on the Di-TMP content under 3.5 mbar, and 300 rpm at 160 °C for 2 h), the POME conversion level and POME-Di-TMPTTE selectivity reached 90.3% and 96.6%, respectively. The obtained BTO with a high POME-Di-TMPTTE portion exhibited greater oxidation stability with a higher flash point and breakdown voltage in accordance with the IEC 62770 specification. A techno-economic analysis revealed the possibility of POME-Di-TMPTTE as a commercial BTO for its competitive cost and profit based on the current commercial price of BTO.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c05987","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142436866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Tunable Charge Transport Using Heterocycles-Flanked Alkoxyphenanthrenes for High-Performing OFETs 利用杂环烷氧基菲烷实现高性能 OFET 的可调谐电荷传输

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-05 DOI: 10.1021/acsomega.4c0116610.1021/acsomega.4c01166

Balu Balambiga, Panneerselvam Devibala, Predhanekar Mohamed Imran and Samuthira Nagarajan*,

{"title":"Tunable Charge Transport Using Heterocycles-Flanked Alkoxyphenanthrenes for High-Performing OFETs","authors":"Balu Balambiga, Panneerselvam Devibala, Predhanekar Mohamed Imran and Samuthira Nagarajan*, ","doi":"10.1021/acsomega.4c0116610.1021/acsomega.4c01166","DOIUrl":"https://doi.org/10.1021/acsomega.4c01166https://doi.org/10.1021/acsomega.4c01166","url":null,"abstract":"A series of new heterocycles-flanked alkoxyphenanthrenes with D′-D-D′ and A-D-A architecture was synthesized for high-performance solution-processable p-channel, n-channel, and ambipolar organic field-effect transistors. The impact of electron-donating and -accepting abilities of the sulfur- and nitrogen-containing heteroaromatics on photophysical, electrochemical, and semiconducting properties was analyzed. The presence of heteroaryl rings improves the extended conjugation, two-dimensional lattices of π–π stacks, and increased molecular interaction of the functionalized phenanthrenes (PN) to allow better self-assembly. The electronically dynamic PN self-assembles into continuous microdomains, forming percolation channels for holes, electrons, or both reliant on functionalization. The low-lying LUMO levels of the compounds enabled ambipolar transport and reduced energy levels for charge injections. Spin-coated devices fabricated using functionalized PN with sulfur-containing heteroaryl substituted PN exhibited the highest hole mobility of 0.85 cm2/(V s) with 108 on/off current ratio. Compounds with A-D-A architecture showed n-channel/ambipolar charge transport, especially napthalimide acceptor substituted PN exhibited n-channel electron mobility of 0.78 cm2/(V s) and an on/off ratio of 106. X-ray diffraction and scanning electron microscopy studies further delineate the impact of efficient packing in the film. Quantum chemistry calculations combined with Marcus–Hush electron transfer theory interpret the transport parameters, and heteroatoms are established to impact the charge mobility intensely.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c01166","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142436858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Evaluating the Hydrothermal Stability of Superbase–Based Ionic Liquids in Cellulose Fiber Spinning 评估超碱基离子液体在纤维素纤维纺丝中的水热稳定性

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-04 DOI: 10.1021/acsomega.4c0408110.1021/acsomega.4c04081

Wenwen Fang*, Inge schlapp-hackl, Michael Hummel and Herbert Sixta*,

引用次数: 0

Correction to “Optical Detection of Interleukin-6 Using Liquid Janus Emulsions Using Hyperthermophilic Affinity Proteins” 对 "使用嗜热亲和蛋白的液态 Janus 乳剂对白细胞介素-6 进行光学检测 "的更正

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-04 DOI: 10.1021/acsomega.4c0804110.1021/acsomega.4c08041

Michelle Chen, Elliot I. Corless, Bevin P. Engelward*, Hadley D. Sikes and Timothy M. Swager*,

引用次数: 0

Sustainable and Advanced LED-Implanted Microfluidic Photoreactor with Coupled Optical Fiber Enabling Efficient Photocatalytic Synthesis Beside Online Reaction Progress Monitoring 带耦合光纤的可持续先进 LED 植入式微流控光反应器可实现高效光催化合成和在线反应进展监测

IF 3.7 3区化学

ACS Omega Pub Date : 2024-10-04 DOI: 10.1021/acsomega.4c0483610.1021/acsomega.4c04836

Gyanendra Chaudhary, Amar Dhwaj, Aman Verma, Priyanka Kumari, Kanhaya Lal, Deepti Verma* and Amit Prabhakar*,

{"title":"Sustainable and Advanced LED-Implanted Microfluidic Photoreactor with Coupled Optical Fiber Enabling Efficient Photocatalytic Synthesis Beside Online Reaction Progress Monitoring","authors":"Gyanendra Chaudhary, Amar Dhwaj, Aman Verma, Priyanka Kumari, Kanhaya Lal, Deepti Verma* and Amit Prabhakar*, ","doi":"10.1021/acsomega.4c0483610.1021/acsomega.4c04836","DOIUrl":"https://doi.org/10.1021/acsomega.4c04836https://doi.org/10.1021/acsomega.4c04836","url":null,"abstract":"The conventional methods for the photoinduced synthesis of benzimidazoles may need further improvement regarding a safer and energy-efficient synthesis platform with in-process monitoring for maximum yield within a much reduced reaction time. This work describes the use of a novel optofluidic Lab-on-a-Chip technology for safer, energy-efficient, and expedited synthesis of benzimidazole derivatives in excellent yields along with real-time quantitative measurement during product formation. This innovative method involves synthesis within LED-embedded microfluidic reactors, allowing for rapid synthesis of benzimidazole derivatives via photoinduced condensation cyclization reactions of aryl aldehydes and o-phenylenediamines using a Rose Bengal/fluorescein photocatalyst. It results in good to excellent yields (85–94%) in a notably shorter period of time (10 min) as compared to that for the batch protocol reaction (2–3 h). The incorporation of a reaction-monitoring microfluidic device precisely connected to the microfluidic reactor (microreactor) unit successfully avoids interference from light sources, ensuring consistent UV–vis spectroscopic observations of the produced benzimidazole derivatives. This LED-embedded microfluidic device’s capability of photoinduced synthesis, along with real-time spectroscopic analysis, represents a promising breakthrough in organic synthesis. The proposed approach minimizes the potential for accidents, prevents waste of chemicals, maximizes atom economy, and designs an energy-efficient synthesis route, along with real-time in-process monitoring.","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c04836","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142436744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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