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Non-communicable diseases: can implementation research change the game for policy and practice? 非传染性疾病:实施研究能否改变政策和实践的游戏规则?
IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-16 Epub Date: 2024-07-01 DOI: 10.1016/S0140-6736(24)01309-6
Kumanan Rasanathan, Phyllis Dako-Gyeke, Wanrudee Isaranuwatchai, Yodi Mahendradhata, Morven Roberts, Giulia Loffreda, Sarah Rylance, Bente Mikkelsen
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引用次数: 0
Dimly illuminated nights alter behavior and negatively affect fat metabolism in adult male zebra finches. 昏暗的夜晚会改变成年雄性斑马雀的行为,并对其脂肪代谢产生负面影响。
IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-15 DOI: 10.1007/s43630-024-00659-7
Mayank Kumar, Ashwani Kumar, Vatsala Tripathi, Abhilash Prabhat, Sanjay Kumar Bhardwaj

This experiment investigated the effects of an ecologically relevant level of dim light at night (dLAN) on behavior, physiology and fat metabolism associated gene expressions in central and peripheral tissues of adult male zebra finches that were hatched and raised in 12:12 h LD cycle (Ev, day = 150 ± 5 lx; Ev, night = 0 lx) at 22 ± 2 °C temperature. Half of the birds (n = 8) were maintained on LD cycle and temperature, as before (control), to the other half of birds the 12 h dark period was dimly illuminated at ~ 5 lx (dim light at night, dLAN; Ev, day = 150 ± 5 lx; Ev, night =  ~ 5 lx) for 6 weeks. The exposure to dLAN altered the 24 h activity and feeding patterns with enhanced activity and feeding at night. Birds under dLAN fattened and gained weight, and had higher night glucose levels. Concurrently, a negative effect of dLAN was found on mRNA expression of ppar-alpha and cd36 genes involved in the fat metabolism in the hypothalamus, intestine, liver and muscle. These results suggest a more global effect of dLAN exposure on obesity and perhaps long-term health risks due to obesity-related complications to diurnal animals including humans inhabiting an urbanized environment.

本实验研究了生态学相关水平的夜间暗光(dLAN)对成年雄性斑马雀行为、生理以及中枢和外周组织中脂肪代谢相关基因表达的影响,斑马雀孵出后在12:12 h LD周期(白天=150 ± 5 lx;夜间=0 lx)、22 ± 2 °C温度下饲养。一半的鸟类(n = 8)和之前(对照组)一样保持低光照周期和温度,另一半鸟类则在 12 小时黑暗期接受约 5 lx 的暗光照射(夜间暗光,dLAN;白天暗光 = 150 ± 5 lx;夜间暗光 = 约 5 lx),为期 6 周。dLAN改变了鸟类24小时的活动和进食模式,夜间活动和进食量增加。在 dLAN 条件下,鸟类变肥,体重增加,夜间血糖水平升高。同时,dLAN 对下丘脑、肠道、肝脏和肌肉中脂肪代谢相关的 ppar-α 和 cd36 基因的 mRNA 表达也有负面影响。这些结果表明,暴露于 dLAN 会对肥胖产生更全面的影响,并可能对昼伏夜出的动物(包括居住在城市化环境中的人类)造成与肥胖相关的并发症,从而带来长期的健康风险。
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引用次数: 0
OLUFF: a novel set of ground and excited state force field parameters of the emitting oxyluciferin species. OLUFF:一套新的发射型氧荧光素的基态和激发态力场参数。
IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-13 DOI: 10.1007/s43630-024-00654-y
Henar Mateo-delaFuente, Juan J Nogueira

The modeling of the bioluminescent system of fireflies is key to understand the binding mode of the oxyluciferin/luciferase complex and its photophysical properties with the aim of developing high-efficiency devices and techniques. In this work, we present the OLUFF force field, which is able to describe the interactions to sample the conformational space of the four possible oxyluciferin emitters in both ground and excited state. This force field has been parameterized to reproduce quantum mechanical (QM) energies and geometrical parameters. Moreover, it has been validated by comparing probability distribution functions, minimized structures, infrared spectra and normal mode analysis obtained from OLUFF-based molecular dynamic (MD) simulations with their QM counterparts. Additionally, ground state simulations have also been performed using the general amber force field (GAFF) and compared with the OLUFF. It has been demonstrated that the OLUFF not only reproduces well the QM properties, but also improves the results from the GAFF.

萤火虫生物发光系统的建模是了解氧荧光素/荧光素酶复合物的结合模式及其光物理特性的关键,其目的是开发高效的设备和技术。在这项工作中,我们提出了 OLUFF 力场,该力场能够描述四种可能的氧荧光素发光体在基态和激发态下的构象空间。我们对该力场进行了参数化,以再现量子力学(QM)能量和几何参数。此外,通过将基于 OLUFF 的分子动力学(MD)模拟获得的概率分布函数、最小化结构、红外光谱和法线模态分析与其量子力学对应物进行比较,对该力场进行了验证。此外,还使用通用琥珀力场(GAFF)进行了基态模拟,并与 OLUFF 进行了比较。结果表明,OLUFF 不仅很好地再现了 QM 特性,而且还改进了 GAFF 的结果。
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引用次数: 0
Priorities for sickle cell disease global research and implementation. 镰状细胞病全球研究和实施的优先事项。
IF 98.4 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-09 Epub Date: 2024-07-10 DOI: 10.1016/S0140-6736(24)01400-4
Ambroise Wonkam, Nchangwi Syntia Munung, Aldiouma Guindo, Obiageli Nnodu
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引用次数: 0
Addressing global gun violence: a Lancet Commission on Global Gun Violence and Health. 应对全球枪支暴力:柳叶刀全球枪支暴力与健康委员会。
IF 98.4 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-09 Epub Date: 2024-09-03 DOI: 10.1016/S0140-6736(24)01697-0
Adnan A Hyder, Lorena Barberia
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引用次数: 0
Investigation of the ability of 3-((4-chloro-6-methyl pyrimidin-2-yl)amino) isobenzofuran-1(3H)-one to bind to double-stranded deoxyribonucleic acid. 研究 3-((4-氯-6-甲基嘧啶-2-基)氨基)异苯并呋喃-1(3H)-酮与双链脱氧核糖核酸的结合能力。
IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-01 Epub Date: 2024-11-10 DOI: 10.1007/s43630-024-00655-x
Pelin Şenel, Abdullah Al Faysal, Zeynep Yilmaz, Taner Erdoğan, Mustafa Odabaşoğlu, Ayşegül Gölcü

Phthalides represent a notable category of secondary metabolites that are prevalent in various plant species, certain fungi, and liverworts. The significant pharmacological properties of these compounds have led to the synthesis of a novel phthalide derivative. The current study focuses on investigating the binding interactions of a newly synthesized 3-substituted phthalide derivative, specifically 3-((4-chloro-6-methyl pyrimidine-2-yl)amino) isobenzofuran-1(3H)-one (Z11), with double-stranded deoxyribonucleic acid (dsDNA). Research in the pharmaceutical and biological fields aimed at developing more potent DNA-binding agents must take into account the mechanisms by which these newly synthesized compounds interact with DNA. This investigation seeks to explore the binding dynamics between dsDNA and our compound through a variety of analytical techniques, such as electrochemistry, UV spectroscopy, fluorescence spectroscopy, and thermal denaturation. The binding constant (Kb) of Z11 with DNA was determined using both spectroscopic and voltammetric approaches. The research revealed that Z11 employs a groove binding mechanism to associate with dsDNA. To further explore the interactions between Z11 and dsDNA, the study utilized density functional theory (DFT) calculations, molecular docking, and molecular dynamics simulations. These analyses aimed to ascertain the potential for a stable complex formation between Z11 and dsDNA. The results indicate that Z11 is situated within the minor groove of the dsDNA, demonstrating the ability to establish a stable complex. Furthermore, the findings imply that both π-alkyl interactions and hydrogen bonding play significant roles in the stabilization of this complex.

邻苯二甲酸酯是一类显著的次级代谢产物,普遍存在于各种植物物种、某些真菌和肝草中。这些化合物的重要药理特性促使人们合成新型邻苯二甲酸酯衍生物。目前的研究重点是调查新合成的 3-取代酞衍生物,特别是 3-((4-氯-6-甲基嘧啶-2-基)氨基)异苯并呋喃-1(3H)-酮 (Z11) 与双链脱氧核糖核酸 (dsDNA) 的结合相互作用。制药和生物领域的研究旨在开发更有效的 DNA 结合剂,必须考虑到这些新合成化合物与 DNA 的相互作用机制。这项研究试图通过电化学、紫外光谱、荧光光谱和热变性等多种分析技术,探索dsDNA与我们的化合物之间的结合动力学。通过光谱和伏安法测定了 Z11 与 DNA 的结合常数 (Kb)。研究发现,Z11 采用沟槽结合机制与 dsDNA 结合。为了进一步探索 Z11 与 dsDNA 之间的相互作用,研究利用了密度泛函理论(DFT)计算、分子对接和分子动力学模拟。这些分析旨在确定 Z11 与 dsDNA 之间形成稳定复合物的可能性。结果表明,Z11 位于 dsDNA 的小沟内,表明其有能力形成稳定的复合物。此外,研究结果还表明,π-烷基相互作用和氢键在该复合物的稳定过程中发挥了重要作用。
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引用次数: 0
Assessment of therapeutic response to photodynamic therapy with the Zn-Phthalocyanine RLP068/Cl versus topical Clindamycin in patients affected by Hidradenitis Suppurativa: a comparative clinical pilot study. 评估酞菁锌 RLP068/Cl 光动力疗法与局部使用克林霉素对湿疹患者的治疗反应:一项比较临床试验研究。
IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-01 Epub Date: 2024-11-11 DOI: 10.1007/s43630-024-00656-w
E Rosi, F Prignano, S Viola, M Venturini, N Pimpinelli, P Calzavara-Pinton

Hidradenitis suppurativa is a chronic skin disorder characterized by painful inflammatory nodules and abscesses, significantly impacting patients' quality of life. Current treatment strategies, including topical antibiotics, often yield limited efficacy and pose risks of antibiotic resistance. Photodynamic therapy has emerged as a potential option, with RLP068/Cl (ELKOFAST®, non-sterile formulation) showing promising efficacy due to its broad-spectrum bactericidal activity. We conducted a pilot study assessing the therapeutic response to photodynamic therapy with RLP068/Cl versus topical clindamycin gel in patients affected by hidradenitis suppurativa of Hurley score I, II, and III. Results revealed higher efficacy of photodynamic therapy in combination with RLP068/Cl, particularly in mild cases. Its efficacy remains reliable even in more severe cases when combined with adalimumab. The observed faster lesion improvement and pain relief were ascribed to the bactericidal effects of RLP068/Cl against Gram+ and Gram- bacteria. Furthermore, photoactivated RLP068/Cl was well tolerated with no adverse events reported. Therefore, photodynamic therapy following RLP068/Cl application represents a novel therapeutic option for hidradenitis suppurativa with potential implications for antibiotic stewardship in dermatology.

化脓性扁平湿疹是一种慢性皮肤病,以疼痛的炎性结节和脓肿为特征,严重影响患者的生活质量。目前的治疗策略,包括局部使用抗生素,往往疗效有限,而且有产生抗生素耐药性的风险。RLP068/Cl(ELKOFAST®,非无菌配方)具有广谱杀菌活性,显示出良好的疗效。我们进行了一项试验性研究,评估使用 RLP068/Cl 与外用克林霉素凝胶进行光动力疗法对赫尔利分级 I、II 和 III 级化脓性扁平苔癣患者的治疗反应。结果显示,光动力疗法与 RLP068/Cl 联合使用的疗效更高,尤其是在轻度病例中。与阿达木单抗联合使用时,即使是较严重的病例,其疗效也依然可靠。RLP068/Cl对革兰氏阳性菌和革兰氏阴性菌的杀菌作用加快了病变的改善和疼痛的缓解。此外,光活化 RLP068/Cl 的耐受性良好,无不良反应报告。因此,应用 RLP068/Cl 进行光动力疗法是化脓性扁平苔癣的一种新疗法,对皮肤科的抗生素管理具有潜在意义。
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引用次数: 0
Different metal-doped NiO nanoparticles for sunlight-mediated degradation of low-density polyethylene microplastic films. 不同金属掺杂的氧化镍纳米粒子在阳光介导下降解低密度聚乙烯微塑料薄膜。
IF 2.7 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-11-01 Epub Date: 2024-11-09 DOI: 10.1007/s43630-024-00653-z
Jameel Mohammed Musthafa, Badal Kumar Mandal

Due to the widespread use and incorrect handling of plastics, we need to find a practical and effective way to eliminate plastic waste from the environment. Different metal-doped nickel oxide (DMD-NiO) nanoparticles (NPs) were synthesized using a sol-gel technique and were used to degrade low-density polyethylene (LDPE) microplastic (MP) films when exposed to sunlight. The optical and structural properties of sol-gel method synthesized materials were investigated using a variety of characterization methods (Fourier transform infrared (FT-IR), UV-vis diffuse reflectance spectroscopy (UV-vis DRS), X-ray diffractometer (XRD) analysis, X-ray photoelectron spectroscopy (XPS), high-resolution transmission electron microscopy (HR-TEM), scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) analysis, and thermogravimetric analysis (TGA). Degradation study results suggest that the photocatalytic activity of DMD-NiO-LDPE nanocomposites (NCs) films was greater than that of pure LDPE and undoped NiO-LDPE films. Because of their increased optical absorption and efficient suppression of photo-produced charge carriers' recombination, the DMD-NiO NPs showed higher photocatalytic degradation of LDPE films. Thus, LDPE films with 2% wt Fe-NiO (iron-doped nickel oxide) nanomaterials showed a degradation of around 38.16% among DMD-NiO-LDPE NCs films under visible light over a short period of 30 days (240 h). The formation of carbonyl groups in the degradation product of LDPE was confirmed by Fourier transform infrared (FT-IR) analysis. When compared to the original LDPE film, the Fe-NiO-LDPE NCs films showed a significant decrease in crystallinity and carbonyl indexes, as much as 8.4% lower. The current project proposes the development of eco-friendly photocatalysts using a sol-gel technique for combating MP pollution in the environment.

由于塑料的广泛使用和不正确处理,我们需要找到一种切实有效的方法来消除环境中的塑料垃圾。利用溶胶-凝胶技术合成了不同的金属掺杂氧化镍(DMD-NiO)纳米粒子(NPs),并将其用于降解暴露在阳光下的低密度聚乙烯(LDPE)微塑料(MP)薄膜。采用多种表征方法(傅立叶变换红外光谱(FT-IR)、紫外-可见漫反射光谱(UV-vis DRS)、X 射线衍射仪(XRD)分析、X 射线光电子能谱(XPS)、高分辨率透射电子显微镜(HR-TEM)、扫描电子显微镜(SEM)与能量色散 X 射线(EDX)分析以及热重分析(TGA))研究了溶胶-凝胶法合成材料的光学和结构特性。降解研究结果表明,DMD-NiO-LDPE 纳米复合材料(NCs)薄膜的光催化活性高于纯 LDPE 和未掺杂的 NiO-LDPE 薄膜。由于 DMD-NiO NPs 增加了光吸收并有效抑制了光产生的电荷载流子的重组,因此其对 LDPE 薄膜的光催化降解能力更强。因此,含有 2% Fe-NiO(掺铁氧化镍)纳米材料的低密度聚乙烯薄膜在可见光下短短 30 天(240 小时)的降解率约为 DMD-NiO-LDPE NCs 薄膜的 38.16%。傅立叶变换红外(FT-IR)分析证实了低密度聚乙烯降解产物中羰基的形成。与原始 LDPE 薄膜相比,Fe-NiO-LDPE NCs 薄膜的结晶度和羰基指数显著降低,低达 8.4%。本项目提出利用溶胶-凝胶技术开发环保型光催化剂,以应对环境中的 MP 污染。
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引用次数: 0
Changing the culture of blood culture. 改变血液文化。
IF 98.4 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-10-19 Epub Date: 2024-09-20 DOI: 10.1016/S0140-6736(24)01942-1
Sally Davies, Richard A Marfuggi, Rick A Bright, Steve Brozak, Michael Osterholm
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引用次数: 0
More mpox data are needed to better respond to the public health emergency of international concern. 需要更多的 mpox 数据,以更好地应对这一国际关注的公共卫生紧急事件。
IF 98.4 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Pub Date : 2024-10-12 Epub Date: 2024-09-26 DOI: 10.1016/S0140-6736(24)02070-1
Liang Wang, George F Gao
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引用次数: 0
期刊
Photochemical & Photobiological Sciences
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