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Solid-State NMR Study of Hydrochars Produced from Hydrothermal Carbonization of Poultry Litter 家禽粪便水热碳化产生的水合碳化物的固态核磁共振研究
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-04 DOI: 10.1021/acsomega.4c0287610.1021/acsomega.4c02876
Mariana C. Santoro*, Bashir M. Ghanim, Witold Kwapinski, James J. Leahy and Jair C. C. Freitas, 

Poultry litter (PL) hydrochars obtained at different temperatures and charring times were characterized by solid-state 1H, 13C and 31P nuclear magnetic resonance (NMR) spectroscopy. 13C NMR spectra obtained with cross polarization (CP) and magic-angle spinning evidenced the chemical and structural changes suffered by PL during its transformation into hydrochar; these changes were particularly dependent on the production temperature rather than the residence time. The hydrochars were essentially composed of aromatic and alkyl domains at the temperature of 250 °C. 31P NMR observations were conducted using single-pulse excitation (SPE) and CP sequences to distinguish between phosphorus far from protons and protonated phosphate species. Results showed that water-soluble phosphorus was the only form detected in hydrochars through the CP sequence. In contrast, the stable phosphorus species formed during hydrothermal carbonization (HTC) exhibited broad signals, detected exclusively using the SPE sequence. This indicates that unprotonated orthophosphates were the dominant form. These NMR results offer a deeper understanding of hydrochar formation from PL, shedding light on the chemical and structural changes caused by the HTC process at the atomic scale.

通过固态 1H、13C 和 31P 核磁共振 (NMR) 光谱对在不同温度和炭化时间下获得的家禽粪便(PL)水炭进行了表征。利用交叉偏振(CP)和魔角旋光获得的 13C NMR 光谱证明了聚乳酸在转化为水炭的过程中发生的化学和结构变化;这些变化尤其取决于生产温度而非停留时间。在 250 °C 的温度下,水煤浆基本上由芳香族和烷基结构域组成。使用单脉冲激发(SPE)和 CP 序列进行了 31P NMR 观察,以区分远离质子的磷和质子化的磷酸盐种类。结果表明,水溶性磷是通过 CP 序列在水合碳中检测到的唯一形式。相比之下,热液碳化(HTC)过程中形成的稳定磷物种则表现出宽泛的信号,只能通过 SPE 序列检测到。这表明未质子化的正磷酸盐是主要形式。这些核磁共振结果加深了人们对 PL 形成水炭的理解,揭示了 HTC 过程在原子尺度上引起的化学和结构变化。
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引用次数: 0
Qinlian Hongqu Decoction Modulates FXR/TGR5/GLP-1 Pathway to Improve Insulin Resistance in NAFLD Mice: Bioinformatics and Experimental Study. 秦连红曲煎剂调节FXR/TGR5/GLP-1通路改善非酒精性脂肪肝小鼠胰岛素抵抗的生物信息学和实验研究
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-03 eCollection Date: 2024-11-12 DOI: 10.1021/acsomega.4c07463
Zhongyi Zhang, Yunliang He, Mei Zhao, Xin He, Zubing Zhou, Yuanyuan Yue, Tao Shen, Juncheng Liu, Gan Zhang, Yong Zhang

Background: Qinglian Hongqu decoction (QLHQD), a traditional Chinese herbal remedy, shows potential in alleviating metabolic issues related to nonalcoholic fatty liver disease (NAFLD). However, its precise mode of action remains uncertain. Objective: This study aims to evaluate the efficacy and mechanisms of QLHQD in treating NAFLD. Methods: This study utilized a NAFLD mouse model to assess the effects of QLHQD on lipid metabolism, including blood lipids and hepatic steatosis, as well as glucose metabolism, including blood glucose levels, OGTT results, and serum insulin. Network pharmacology, bioinformatics, and molecular docking were used to explore how QLHQD may improve NAFLD treatment. Key proteins involved in these mechanisms were validated via WB and immunohistochemistry. Additionally, the expression of downstream pathway targets was examined to further validate the insulin resistance mechanism by which QLHQD improves NAFLD. Results: Animal studies demonstrated that QLHQD alleviated lipid abnormalities, hepatic steatosis, blood glucose levels, the insulin resistance index, and the OGTT results in NAFLD mice (P < 0.05 or 0.01). Network pharmacology and bioinformatics analyses indicated that the effects of QLHQD on NAFLD might involve bile acid secretion pathways. Subsequent validation through Western blotting, immunohistochemistry, and qPCR demonstrated that QLHQD may influence fat metabolism and insulin sensitivity in NAFLD mice via the FXR/TGR5/GLP-1 signaling pathway. Conclusion: QLHQD significantly alleviates glucose and lipid metabolism disorders in a high-fat diet-induced NAFLD mouse model. Its mechanism of action may involve the activation of the FXR/TGR5/GLP-1 signaling pathway in the gut, which reduces lipid accumulation and insulin resistance.

背景:青莲红曲水煎剂(QLHQD)是一种传统中药,在缓解与非酒精性脂肪肝(NAFLD)相关的代谢问题方面具有潜力。然而,其确切的作用模式仍不确定。研究目的本研究旨在评估 QLHQD 治疗非酒精性脂肪肝的疗效和机制。研究方法本研究利用非酒精性脂肪肝小鼠模型评估 QLHQD 对脂质代谢(包括血脂和肝脂肪变性)以及糖代谢(包括血糖水平、OGTT 结果和血清胰岛素)的影响。研究人员利用网络药理学、生物信息学和分子对接来探索 QLHQD 如何改善非酒精性脂肪肝的治疗。通过WB和免疫组化验证了参与这些机制的关键蛋白。此外,还检测了下游通路靶点的表达,以进一步验证 QLHQD 改善非酒精性脂肪肝的胰岛素抵抗机制。结果:动物实验表明,QLHQD可减轻非酒精性脂肪肝小鼠的血脂异常、肝脏脂肪变性、血糖水平、胰岛素抵抗指数和OGTT结果(P < 0.05或0.01)。网络药理学和生物信息学分析表明,QLHQD对非酒精性脂肪肝的影响可能涉及胆汁酸分泌途径。随后通过 Western 印迹、免疫组化和 qPCR 验证表明,QLHQD 可通过 FXR/TGR5/GLP-1 信号通路影响 NAFLD 小鼠的脂肪代谢和胰岛素敏感性。结论QLHQD能明显缓解高脂饮食诱导的非酒精性脂肪肝小鼠模型的糖脂代谢紊乱。其作用机制可能涉及激活肠道中的 FXR/TGR5/GLP-1 信号通路,从而减少脂质积累和胰岛素抵抗。
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引用次数: 0
Cross-Run Hybrid Features Improve the Identification of Data-Independent Acquisition Proteomics 交叉运行混合特征改进了与数据无关的采集蛋白质组学的鉴定工作
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-03 DOI: 10.1021/acsomega.4c0739810.1021/acsomega.4c07398
Yachen Liu, Longfei Mei, Chenyu Liang, Chuan-Qi Zhong, Mengsha Tong* and Rongshan Yu*, 

The analysis of data-independent acquisition (DIA) mass spectrometry data is crucial for comprehensive proteomics studies. However, traditional single-run methods often fall short in terms of identification depth and consistency. We present HFDiscrim, a specialized multirun DIA analysis tool aimed at enhancing the depth and consistency of reliable peptide identifications of DIA analysis tools. HFDiscrim was extensively benchmarked on multiple data sets, including the MCB data set, the ccRCC data set, and a three-species benchmark mixture. Compared to PyProphet, HFDiscrim identified 22.04% more precursors, 19.1% more peptides, and 13.2% more proteins while maintaining a controllable false discovery rate. Furthermore, HFDiscrim demonstrated higher identification rates and improved reproducibility across multiple runs. HFDiscrim is publicly available at https://github.com/yachliu/HFDiscrim.

数据独立采集(DIA)质谱数据分析对于全面的蛋白质组学研究至关重要。然而,传统的单次运行方法往往在鉴定深度和一致性方面存在不足。我们介绍的 HFDiscrim 是一种专门的多运行 DIA 分析工具,旨在提高 DIA 分析工具可靠肽段鉴定的深度和一致性。我们在多个数据集(包括 MCB 数据集、ccRCC 数据集和三物种基准混合物)上对 HFDiscrim 进行了广泛的基准测试。与 PyProphet 相比,HFDiscrim 多鉴定出 22.04% 的前体、19.1% 的肽和 13.2% 的蛋白质,同时保持了可控的错误发现率。此外,HFDiscrim 在多次运行中表现出更高的鉴定率和更好的可重复性。HFDiscrim 可在 https://github.com/yachliu/HFDiscrim 公开获取。
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引用次数: 0
Phononic Stiefel–Whitney Topology with Hinge Vibrational Modes in 3D Carbon Allotrope 43T57-CA 三维碳配位体中具有铰链振动模式的声学 Stiefel-Whitney 拓扑 43T57-CA
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-03 DOI: 10.1021/acsomega.4c0890410.1021/acsomega.4c08904
Yang Li*, 

As a fragile topological state lacking spin–orbit coupling (SOC) and possessing space–time inversion (PT) symmetry, the Stiefel–Whitney (SW) insulator has received much attention. Up until now, the identification of SW insulators has been extensively suggested for 2D phononic systems but has been rarely considered for 3D phononic systems. 3D carbon allotrope 43T57-CA has the capability to achieve nontrivial phononic SW topology, which can be distinguished by a nontrivial second SW number. Moreover, 3D 43T57-CA can host hinge vibrational modes, which are protected by PT.

作为一种缺乏自旋轨道耦合(SOC)并具有时空反转对称性的脆弱拓扑状态,斯蒂费尔-惠特尼(SW)绝缘体受到了广泛关注。迄今为止,人们已广泛建议在二维声子系统中识别 SW 绝缘体,但很少考虑在三维声子系统中识别 SW 绝缘体。三维碳同素异形体 43T57-CA 具有实现非三维声波 SW 拓扑的能力,可通过非三维第二 SW 数加以区分。此外,三维 43T57-CA 还能承载铰链振动模式,这些模式受到 PT 的保护。
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引用次数: 0
Mechanical Properties and Strength Criteria of Hydrate-Bearing Sediments Considering Clay Minerals 考虑粘土矿物的含水沉积物力学性能和强度标准
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-03 DOI: 10.1021/acsomega.4c0673510.1021/acsomega.4c06735
Gege Tang, Rui Jia*, Huilan He, Yiming Li and Xiaolin Li, 

Understanding the effect of clay on the mechanical properties and strength criteria of hydrate-bearing sediments (HBS) is essential for evaluating the safety of clay-rich reservoirs. In this study, a series of triaxial shear tests were conducted to investigate the impacts of clay type and content on the mechanical behavior of I-HBS (hydrate-bearing sediments containing illite) and M-HBS (hydrate-bearing sediments containing montmorillonite). The findings reveal that M-HBS exhibit greater susceptibility to strain hardening compared to I-HBS, accompanied by more extensive volume deformation, and both strain hardening and shear shrinkage intensify with increasing clay content. Moreover, the results demonstrate higher failure strength and Young’s modulus in I-HBS than M-HBS. The failure strength of sediments is affected by both the clay content and effective confining pressure, with an established relationship between the failure strength and these two factors. Additionally, the cohesion and internal friction angle of sediments exhibit distinct linear correlations with clay content due to variations in the clay type. The Mohr–Coulomb strength criterion incorporating the clay content is established, enabling the prediction of shear strength in clay-rich hydrate reservoirs. The clay type and content are the cause for different strengths and shear mechanisms of sediments. This research holds significant implications for the safe mining of natural gas clay-rich hydrate reservoirs.

了解粘土对水合物沉积物(HBS)机械性能和强度标准的影响对于评估富粘土储层的安全性至关重要。本研究进行了一系列三轴剪切试验,以研究粘土类型和含量对 I-HBS(含伊利石的含水沉积物)和 M-HBS(含蒙脱石的含水沉积物)机械行为的影响。研究结果表明,与 I-HBS 相比,M-HBS 更容易发生应变硬化,同时伴随着更大的体积变形,而且随着粘土含量的增加,应变硬化和剪切收缩都会加剧。此外,结果表明 I-HBS 的破坏强度和杨氏模量均高于 M-HBS。沉积物的破坏强度受粘土含量和有效约束压力的影响,破坏强度与这两个因素之间存在确定的关系。此外,由于粘土类型的变化,沉积物的内聚力和内摩擦角与粘土含量呈明显的线性相关。建立了包含粘土含量的莫尔-库仑强度准则,从而能够预测富含粘土的水合物储层的剪切强度。粘土类型和含量是造成沉积物强度和剪切机制不同的原因。这项研究对天然气富粘土水合物储层的安全开采具有重要意义。
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引用次数: 0
Treating Waste with Waste: Activated Bauxite Residue (ABR) as a Potential Wastewater Treatment. 以废治废:活性矾土残渣 (ABR) 作为一种潜在的废水处理方法。
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-02 eCollection Date: 2024-11-12 DOI: 10.1021/acsomega.4c06699
Fei Cheng, Jingya Pang, Scott Berggren, Himanshu Tanvar, Brajendra Mishra, Maricor J Arlos

Bauxite residue (or red mud) is a highly alkaline waste generated during the extraction of alumina. As a result of the substantial accumulation of bauxite residue in tailings facilities, there is a growing interest in exploring the potential for reusing this material for other purposes. The main objective of this study is to evaluate the use of activated bauxite residue (ABR) for remediating oil sands process-affected water (OSPW) and as a supplement to municipal wastewater treatment through bench-scale, proof-of-concept studies. The ABR is produced through a reduction roasting process that alters the physicochemical properties of bauxite residue, resulting in the generation of potentially effective adsorbent media. The treatment performance via chemical and biological activity removals (cytotoxicity, estrogenicity, and mutagenicity) was also assessed. For OSPW, ABR treatment resulted in the effective removal of recalcitrant acid-extractable organics (AEOs), with kinetics following the pseudo-second-order and comparable adsorption capacity to other waste materials (e.g., petroleum coke). ABR also effectively reduced the estrogenicity and mutagenicity of OSPW, albeit cytotoxicity increased at higher dosages, possibly due to some components leaching out of the material (e.g., metals). For municipal wastewater, ABR treatment reduced fecal coliform concentrations (>99%), total phosphorus (up to 98%), total ammonia-nitrogen (63%), estrogenicity (nondetectable), and mutagenicity (nondetectable), especially in the primary effluent. The ultimate end use of ABR is for the recovery of valuable metals (especially iron) and as a construction material, but additional work is needed to optimize the dosage (currently in the g/L range) and maximize the use of ABR as an adsorbent prior to its subsequent uses.

铝土矿残渣(或赤泥)是一种在提取氧化铝过程中产生的高碱性废物。由于铝矾土残渣在尾矿设施中的大量积累,人们越来越有兴趣探索将这种材料重新用于其他用途的潜力。本研究的主要目的是评估活性铝矾土残渣(ABR)在油砂加工影响水(OSPW)补救中的用途,并通过台架规模的概念验证研究将其作为城市污水处理的补充。ABR 是通过还原焙烧工艺生产的,该工艺改变了铝矾土残渣的物理化学特性,从而产生了潜在的有效吸附介质。此外,还通过化学和生物活性去除(细胞毒性、雌激素性和诱变性)对处理性能进行了评估。对于 OSPW,ABR 处理可有效去除难降解的酸性可提取有机物(AEO),其动力学遵循假二阶,吸附能力与其他废物材料(如石油焦)相当。ABR 还能有效降低 OSPW 的雌激素毒性和诱变性,尽管在较高剂量下细胞毒性会增加,这可能是由于材料中的某些成分(如金属)被沥滤出所致。对于城市污水,ABR 处理可降低粪大肠菌群浓度(>99%)、总磷(高达 98%)、总氨氮(63%)、雌激素(检测不到)和诱变性(检测不到),特别是在一级出水中。ABR 的最终用途是回收有价金属(尤其是铁)和用作建筑材料,但还需要做更多的工作来优化用量(目前在克/升范围内),并在其后续用途之前最大限度地利用 ABR 作为吸附剂。
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引用次数: 0
Diverse Self-Assembled Molecular Architectures Promoted by C-H···O and C-H···Cl Hydrogen Bonds in a Triad of α-Diketone, α-Ketoimine, and an Imidorhenium Complex: A Unified Analysis Based on XRD, NEDA, SAPT, QTAIM, and IBSI Studies. α-二酮、α-酮亚胺和亚胺络合物三元组中的 C-H-O 和 C-H-Cl 氢键促进的多样化自组装分子结构:基于 XRD、NEDA、SAPT、QTAIM 和 IBSI 研究的统一分析。
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-02 eCollection Date: 2024-11-12 DOI: 10.1021/acsomega.4c07702
Ankita Sinha, Suphal Sen, Tejender Singh, Aniruddha Ghosh, Satyen Saha, Krishanu Bandyopadhyay, Arindam Dey, Suparna Banerjee, Jaydip Gangopadhyay
<p><p>X-ray structural elucidation, supramolecular self-assembly, and energetics of existential noncovalent interactions for a triad comprising α-diketone, α-ketoimine, and an imidorhenium complex are highlighted in this report. Molecular packing reveals a self-assembled 2D network stabilized by the C-H···O H-bonds for the α-diketone (benzil), and the first structural report of Brown and Sadanaga stressing on the prevalence of <i>only the van der Waals forces</i> seems to be an oversimplified conjecture. In the α-ketoimine, the imine nitrogen atom undergoes intramolecular N···H interaction to render itself inert toward intermolecular C-H···N interaction and exhibits two types of C-H···O H-bonds in consequence to generate a self-assembled 2D molecular architecture. The imidorhenium complex features a self-aggregated 3D packing engendered by the interplay of C-H···Cl H-bonds along with the ancillary C-H···π, C···C, and C···Cl contacts. To the best of our knowledge, in rhenium chemistry, this imidorhenium complex unravels the first example of self-associated 3D molecular packing constructed by the directional hydrogen bonds of C-H···Cl type. The presence of characteristic supramolecular synthons, viz., R<sub>2</sub> <sup>2</sup>(12), R<sub>2</sub> <sup>2</sup>(16), and R<sub>2</sub> <sup>2</sup>(14), in the α-diketone, α-ketoimine, and imidorhenium complex, respectively, has prompted us to delve into the energetics of noncovalent interactions. Symmetry-adapted perturbation theory analysis has authenticated a stability order: R<sub>2</sub> <sup>2</sup>(14) > R<sub>2</sub> <sup>2</sup>(12) > R<sub>2</sub> <sup>2</sup>(16) based on the interaction energy values of -25.97, -9.93, and -4.98 kcal/mol, respectively. The respective average contributions of the long-range dispersion, electrostatic, and induction forces are 58.5, 32.8, and 8.7%, respectively, for the intermolecular C-H···O interactions. The C-H···Cl interactions experience comparable contribution from the dispersion force (57.9% on average), although the electrostatic and induction forces contribute much less, 28.0 and 14.1%, respectively, on average. The natural energy decomposition analysis has further attested that the short-range, interfragment charge transfer occurring via the lp(O/Cl) → σ*(C-H) routes contributes 17-25% of the total attractive force for the C-H···O and C-H···Cl interactions. Quantum theory of atoms in molecules analysis unfolds a first-order exponential decay relation (<i>y</i> = 8.1043<i>e</i> <sup>-<i>x</i>/0.4095</sup>) between the electron density at the bond critical point and the distance of noncovalent interactions. The distances of noncovalent interactions in the lattices are internally governed by the individual packing patterns rather than the chemical nature of the H-bond donors and acceptors. Intrinsic bond strength index analysis shows promise to correlate the electron density at BCP with the SAPT-derived interaction energy for the noncovalent interactions.
本报告重点介绍了由α-二酮、α-酮亚胺和亚胺络合物组成的三元体的 X 射线结构阐释、超分子自组装和存在非共价相互作用的能量学。α-二酮(苯齐尔)的分子堆积显示了一个由 C-H-O 氢键稳定的自组装二维网络,而 Brown 和 Sadanaga 的第一份结构报告强调范德华力的普遍存在似乎是一个过于简单的猜想。在α-酮亚胺中,亚胺的氮原子通过分子内的N--H相互作用,使其本身对分子间的C--H--N相互作用具有惰性,并因此表现出两种类型的C--H--O氢键,从而产生一种自组装的二维分子结构。亚胺鎓复合物的特点是,C-H--Cl H 键与辅助的 C-H--π、C--C 和 C-Cl 接触相互作用,产生自组装三维堆积。据我们所知,在铼化学领域,这种亚铱铼配合物首次揭示了由 C-H-Cl 型定向氢键构建的自结合三维分子填料。在α-二酮、α-酮亚胺和亚胺络合物中分别出现了特征性的超分子合子,即 R2 2(12)、R2 2(16)和 R2 2(14),这促使我们深入研究非共价相互作用的能量学。对称适配扰动理论分析证实了一种稳定顺序:R2 2(14) > R2 2(12) > R2 2(16),其相互作用能值分别为 -25.97、-9.93 和 -4.98千卡/摩尔。分子间 C-H-O 相互作用的长程弥散力、静电力和感应力的平均贡献率分别为 58.5%、32.8% 和 8.7%。在 C-H-Cl 相互作用中,分散力的贡献率相当(平均为 57.9%),但静电力和感应力的贡献率要低得多,平均分别为 28.0% 和 14.1%。自然能量分解分析进一步证明,通过 lp(O/Cl) → σ*(C-H)途径发生的短程碎片间电荷转移占 C-H-O 和 C-H-Cl 相互作用总吸引力的 17-25%。分子中原子的量子理论分析揭示了键临界点电子密度与非共价相互作用距离之间的一阶指数衰减关系(y = 8.1043e -x/0.4095)。晶格中的非共价相互作用距离在内部受单个堆积模式的制约,而不是受 H 键供体和受体的化学性质的制约。内在键强度指数分析表明,BCP 处的电子密度与 SAPT 得出的非共价相互作用能量之间存在关联。有两个因素(i) 与有机物相比,亚胺鎓复合物的 HOMO-LUMO 能量差(∼30 kcal/mol)几乎只有有机物的一半;(ii) HOMO 在 mer-ReCl3 分子上的定位(∼60%)清楚地表明该复合物的极化性增强,有利于弱 C-H-Cl H 键的生长。
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引用次数: 0
Inflammation-Modulating Biomedical Interventions for Diabetic Wound Healing: An Overview of Preclinical and Clinical Studies 针对糖尿病伤口愈合的炎症调节生物医学干预:临床前和临床研究综述
IF 4.1 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 DOI: 10.1021/acsomega.4c02251
Nouf N. Mahmoud, Salma Hamad, Sawsan Shraim
A diabetic wound exemplifies the challenge of chronic, nonhealing wounds. Elevated blood sugar levels in diabetes profoundly disrupt macrophage function, impairing crucial activities such as phagocytosis, immune response, cell migration, and blood vessel formation, all essential for effective wound healing. Moreover, the persistent presence of pro-inflammatory cytokines and reactive oxygen species, coupled with a decrease in anti-inflammatory factors, exacerbates the delay in wound healing associated with diabetes. This review emphasizes the dysfunctional inflammatory responses underlying diabetic wounds and explores preclinical studies of inflammation-modulating bioactives and biomaterials that show promise in expediting diabetic wound healing. Additionally, this review provides an overview of selected clinical studies employing biomaterials and bioactive molecules, shedding light on the gap between extensive preclinical research and limited clinical studies in this field.
糖尿病伤口是慢性不愈合伤口的典型代表。糖尿病患者的血糖水平升高会严重破坏巨噬细胞的功能,损害其吞噬、免疫反应、细胞迁移和血管形成等关键活动,而所有这些活动都是伤口有效愈合所必需的。此外,促炎细胞因子和活性氧的持续存在,加上抗炎因子的减少,加剧了与糖尿病相关的伤口愈合延迟。本综述强调了糖尿病伤口背后的炎症反应失调,并探讨了有望加快糖尿病伤口愈合的炎症调节生物活性物质和生物材料的临床前研究。此外,本综述还概述了采用生物材料和生物活性分子的部分临床研究,揭示了该领域广泛的临床前研究与有限的临床研究之间的差距。
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引用次数: 0
Enzyme Benchmarking with Polyethylene Furanoate Soluble Scaffolds for Directed Evolution of PEFases. 利用聚呋喃酮酸乙烯酯可溶性支架进行酶基准分析,促进 PEFases 的定向进化。
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 eCollection Date: 2024-11-12 DOI: 10.1021/acsomega.4c09053
Mikel Dolz, Dianelis T Monterrey, Felice Quartinello, Patricia Gomez de Santos, Ivan Mateljak, Alessandro Pellis, Georg Guebitz, Javier Viña-González, Miguel Alcalde

Plastic waste is a major threat in our industrialized world and is driving research into bioplastics. The success of biobased polyethylene furanoate (PEF) as a viable alternative to polyethylene terephthalate (PET) of fossil origin will depend on designing effective enzymes to break it down, aiding its recycling. Here, a panel of fungal and bacterial cutinases were functionally expressed in a tandem yeast expression system based on Saccharomyces cerevisiae and Pichia pastoris. The activity of the enzyme panel was tested with soluble PEF model scaffolds, observing a correlation with the degradation of real PEF powder. A high-throughput colorimetric screening assay based on the PEF scaffold diethyl furan-2,5-dicarboxylate was developed, establishing the basis for future directed evolution campaigns of PEFases.

塑料垃圾是工业化世界的一大威胁,也是生物塑料研究的动力。作为化石来源的聚对苯二甲酸乙二醇酯(PET)的可行替代品,生物基聚呋喃乙烯酯(PEF)的成功与否取决于能否设计出有效的酶来分解它,从而帮助其回收利用。在这里,一组真菌和细菌角叉菜胶酶在基于酿酒酵母和糊粉菌的串联酵母表达系统中进行了功能表达。用可溶性 PEF 模型支架测试了酶组的活性,观察到其与真实 PEF 粉末降解的相关性。基于 PEF 支架的呋喃-2,5-二甲酸二乙酯开发了一种高通量比色筛选测定法,为未来 PEF 酶的定向进化活动奠定了基础。
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引用次数: 0
Conception and Optimization of Extraction-Free Loop-Mediated Isothermal Amplification Detection of Dry Rot Fungus Serpula lacrymans. 干腐菌 Serpula lacrymans 的无萃取环介导等温扩增检测方法的构想与优化
IF 3.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-01 eCollection Date: 2024-11-12 DOI: 10.1021/acsomega.4c05509
Vanessa Lapointe, Myriam Roy, Stéphanie Rose, Yvan Boutin, Frédéric Couture

The use of nucleic acid-based detection tools for microorganisms and fungi has become a gold standard. This is particularly the case for wood-decaying fungi like Serpula lacrymans, which are hard to discriminate based on macroscopic and microscopic observations. This dry rot is important to detect as it is particularly destructive in an infested building, which requires immediate action to prevent spreading and significant damage to structural elements. Through the development and optimization of loop-mediated isothermal amplification against S. lacrymans-specific rDNA internal transcribed spacer region, we demonstrate that it is possible to achieve rapid and specific amplification without nonspecific self-amplification in a similar range as real-time quantitative PCR without any necessary DNA isolation using a colorimetric detection assay. Through a combined set of self-amplification minimization along with hand-held sample homogenization, the LAMP assay was optimized to provide a femtogram-range assay capable of confirming identification in a real field sample either predominantly composed of S. lacrymans or containing the fungus while remaining negative when tested on different types of fungi found in basement-collected samples.

使用基于核酸的微生物和真菌检测工具已成为一种黄金标准。这对于像 Serpula lacrymans 这样的木材腐朽真菌来说尤其如此,因为这种真菌很难通过宏观和微观观察加以区分。检测这种干腐菌非常重要,因为它在受侵扰的建筑物中破坏性特别大,需要立即采取行动,防止其扩散并对结构部件造成重大损害。通过开发和优化针对干腐镰刀菌特异性 rDNA 内部转录间隔区的环介导等温扩增技术,我们证明可以实现快速、特异性扩增,且无非特异性自扩增,扩增范围与实时定量 PCR 相似,无需使用比色检测法进行任何必要的 DNA 分离。通过将自扩增最小化与手持样品均质化相结合,我们对 LAMP 检测方法进行了优化,使其能够在以裂头蝇属真菌为主或含有该真菌的真实野外样品中进行毫微克级检测,同时在对地下室采集样品中发现的不同类型真菌进行检测时保持阴性。
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