bluuebunny/crossref_metadata_2025_split huggingface dataset:
Topological and Morphological Membrane Dynamics in Giant Lipid Vesicles Driven by Monoolein Cubosomes
Authors: Xu Zexi , Booth Andrew , Rappolt Michael , Peckham Michelle , Tyler Arwen I. I. , Beales Paul A. 
Published: September 2024

AbstractLipid nanoparticles have important applications as biomedical delivery platforms and broader engineering biology applications in artificial cell technologies. These emerging technologies often require changes in the shape and topology of biological or biomimetic membranes. Here we show that topologically‐active lyotropic liquid crystal nanoparticles (LCNPs) can trigger such transformations in the membranes of giant unilamellar vesicles (GUVs). Monoolein (MO) LCNPs, cubosomes with an internal nanostructure of space group
incorporate into 1,2‐dioleoyl‐sn‐glycero‐3‐phosphocholine (DOPC) GUVs creating excess membrane area with stored curvature stress. Using time‐resolved fluorescence confocal and lattice light sheet microscopy, we observe and characterise various life‐like dynamic events in these GUVs, including growth, division, tubulation, membrane budding and fusion. Our results shed new light on the interactions of LCNPs with bilayer lipid membranes, providing insights relevant to how these nanoparticles might interact with cellular membranes during drug delivery and highlighting their potential as minimal triggers of topological transitions in artificial cells.
Mechanochemical Thioglycolate Modification of Microscale Zero‐Valent Iron for Superior Heavy Metal Removal
Authors: Zu Junning , Zhang Nuanqin , Liu Xupeng , Hu Yuqing , Yu Linghao , Chen Ziyue , Zhang Hao , Li Hao , Zhang Lizhi 
Published: September 2024

AbstractMicroscale zero‐valent iron (mZVI) is widely used for water pollutant control and environmental remediation, yet its reactivity is still constrained by the inert oxide shell. Herein, we demonstrate that mechanochemical thioglycolate (TG) modification can dramatically enhance heavy metal (NiII, CrVI, CdII, PbII, HgII, and SbIII) removal rates of mZVI by times of 16.7 to 88.0. Compared with conventional impregnation (wet chemical process), this dry mechanochemical process could construct more robust covalent bonding between TG and the inert oxide shell of mZVI through its electron‐withdrawing carboxylate group to accelerate the electron release from the iron core, and more effectively strengthen the surface heavy metal adsorption through metal(d)‐sulfur(p) orbital hybridization between its thiol group and heavy metal ions. Impressively, this mechanochemically TG‐modified mZVI exhibited an unprecedented NiII removal capacity of 580.4 mg Ni g−1 Fe, 17.1 and 9.5 times those of mZVI and wet chemically TG‐modified mZVI, respectively. Its application potential was further validated by more than 10 days of stable groundwater NiII removal in a column flow reactor. This study offers a promising strategy to enhance the reactivity of mZVI, and also emphasizes the importance of the modification strategy in optimizing its performance for environmental applications.
Supramolecular Self‐Assembly of Novel Double Chloride‐Bridging Trinuclear Ni(II) Mono‐Salamo‐Type Cluster: Experimental and Theoretical Analysis
Authors: Yuan Pei‐Lin , Chen Rui , Liu Le‐Le , Ma Chen‐Yin , Dong Wen‐Kui , Sun Chu‐Feng 
Published: September 2024

ABSTRACTA mono‐salamo‐type ligand H2L was prepared to utilize 3‐methoxysalicylaldehyde and a semi‐salamo‐type compound, and its novel trinuclear Ni(II) cluster with two significantly various configurations in the solid state was obtained by reaction of H2L with Ni(II) ions. The trinuclear structure of the Ni(II) cluster was validated by x‐ray technique, and Ni(II) ions exhibited hexa‐coordinated twisted octahedrons. Its structural formula is [Ni3(L)2(μ2‐Cl)2(EtOH)2]. Chloride ions have also successfully double bridged to participate in coordination, and play a critical impact in the trinuclear configuration's stability and charge balance. Two solvent ethanol molecules are also participated in coordination. The coordination ratio of the ligand to the metal ion was verified to be 2:3 by UV–Vis absorption titration spectroscopy. The HOMO and LUMO energies of the frontline molecular orbitals of H2L and the complex were analyzed by DFT calculations, and the energy gap value of the ligand H2L was 4.29 eV, and that of the complex was 0.72 eV. The ligand combined with the metal decreased the energy gap value and produced a more active complex. Furthermore, Hirshfeld surface analysis visualizes the weak interactions of crystalline molecules, and these abundant weak interactions play an especially critical effect in the supramolecular structural self‐assembling. The fluorescent researches proclaimed that the fluorescence intensity of the cluster significantly decreased compared with the ligand, suggesting that this ligand and complex have greater promise for fluorescence sensing.
Synthesis, Structural Investigations, and Potential Antimicrobial and Anticancer Activity of Mononuclear Zn(II) and Cd(II) Complexes Decorated by Morpholine/Pyrazole s‐Triazine Ligand
Authors: Gad Shaimaa I. , Altowyan Mezna Saleh , Abu‐Youssef Morsy A. M. , El‐Faham Ayman , Barakat Assem , Tatikonda Rajendhraprasad , Haukka Matti , Soliman Saied M. , Yousri Amal 
Published: September 2024

ABSTRACTThe structure and biological diversities of [Zn(BPTMorph)(H2O)3](ClO4)2 (1), [Zn(BPTMorph)(NO3)2] (2), and [Cd(BPTMorph)(NO3)2] (3) complexes were described. In all complexes, the Zn(II) and Cd(II) ions are coordinated with one 4‐(4,6‐bis(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)‐1,3,5‐triazin‐2‐yl)morpholine (BPTMorph) molecule as a pincer NNN‐chelate. The rest of the coordination sphere was found to depend on the type of anion. In 1, there are three coordinated water molecules leading to a distorted octahedral geometry around Zn(II). In 2 and 3, there are two coordinated NO3− groups that differ in their coordination modes. The two NO3− groups are monodentate in 1 and bidentate in 3. Hence, the coordination numbers of Zn(II) and Cd(II) are 5 and 7, respectively. Supramolecular structure investigations indicated the importance of O···H contacts in the molecular packing. The percentages of O···H contacts are 35.4%–36.1%, 44.8%, and 39.7% in complexes 1–3, respectively. The energy breakdown for the intermolecular interactions was performed using energy framework analysis to explore the forces that dominate these interactions. Anticancer activity of complexes 1–3 and BPTMorph against HepG‐2, MCF‐7, and A‐549 cancerous cells was presented. The best result is found for complex 3 against A‐549 where the IC50 is 2.77 ± 0.26 μg/mL and selectivity index is 12.5 although the corresponding values for BPTMorph are 32.39 ± 2.82 μg/mL and 2.7, respectively. In addition, 3 outperformed the anticancer drug cis‐platin against all cell lines. The antimicrobial activity of 3 is the best compared to 1, 2, and BPTMorph. Interestingly, 3 showed antibacterial efficiency comparable to gentamycin against Proteus vulgaris.
Nanoencapsulation of citrus essential oils in systematic modified chitosan‐based nanofibers
Authors: Ulici Adelina Maria , Găină‐Gardiuta Artiom , Vodnar Dan , Barbu‐Tudoran Lucian , Podea Paula Veronica 
Published: September 2024

AbstractIn this study, chitosan (CH)/polyvinyl alcohol (PVA) hybrid nanofibers incorporating three distinct essential oils lemon, lime, and grapefruit were successfully obtained via the innovative electrospinning technique. Characteristics of the electrospinning polymeric mixture loaded with essential oils using variable ratios of CH/PVA were evaluated. The nanoencapsulation process of citrus essential oils was achieved with 47.67%–88.16% encapsulation efficiency. Notably, the thermal stability of the encapsulated essential oils experienced a significant enhancement after encapsulation. Scanning electron microscopy analysis revealed valuable insights, revealing that an increased amount of incorporated essential oil within the polymeric mixture solutions led to a reduction in the average fiber diameters. The resulting nanofibers demonstrated notable attributes such as antioxidant, tyrosinase inhibitory, and antibacterial activities. The present research demonstrates the ability of CH/PVA hybrid nanofibers obtained through an electrospinning process to preserve citrus essential oils properties quality and reveals a high potential application of nonencapsulated citrus essential oils in biomaterials, food packaging, and advanced cosmetic application.
3D Printing in Biocatalysis and Biosensing: From General Concepts to Practical Applications
Authors: Nyenhuis Jonathan , Heuer Christopher , Bahnemann Janina 
Published: September 2024

Abstract3D printing has matured into a versatile technique that offers researchers many different printing methods and materials with varying properties. Nowadays, 3D printing is deployed within a myriad of different applications, ranging from chemistry to biotechnology –including bioanalytics, biocatalysis or biosensing. Due to its inherent design flexibility (which enables rapid prototyping) and ease of use, 3D printing facilitates the relatively quick and easy creation of new devices with unprecedented functions.. This review article describes how 3D printing can be employed for research in the fields of biochemistry and biotechnology, and specifically for biocatalysis and biosensor applications. We survey different relevant 3D printing techniques, as well as the surface activation and functionalization of 3D‐printed materials. Finally, we show how 3D printing is used for the fabrication of reaction ware and enzymatic assays in biocatalysis research, as well as for the generation of biosensors using aptamers, antibodies, and enzymes as recognition elements.
Rejection of low‐molecular weight neutral organics is highly sensitive to reverse osmosis system design and operation
Authors: Howe Kerry J. , Hernandez‐Quintero Jose P. , Lee Carson O. 
Published: September 2024

AbstractA computational model was developed to investigate the significance of system design and operating conditions on the rejection of neutral, low‐MW organics by reverse osmosis for potable reuse. The model demonstrated that the decrease in local rejection as net driving pressure decreases is substantially greater for moderately rejected compounds than for highly rejected compounds. At recovery values less than 70%, the local permeate concentration can exceed the pressure vessel feed concentration for moderately rejected compounds. System‐level rejection of moderately rejected compounds is likewise substantially more sensitive to operating conditions than highly rejected compounds. The findings highlight a drawback of relying on rejection results from bench‐scale testing that operates at low recovery, which invariably has higher rejection than full‐scale systems operating at similar pressure. The analysis demonstrates a trade‐off in which the low‐pressure, high‐recovery operation desired for potable reuse systems can be detrimental to the removal of low‐MW neutral organics. The removal of low‐MW neutral organics can be improved if organics rejection is explicitly evaluated during the design process.
Neuroticism and posttraumatic stress disorder: A Mendelian randomization analysis
Authors: You Zifan , Chen Shanshan , Tang Jinsong 
Published: September 2024

AbstractObjectiveEpidemiological studies revealed an unestablished association between neuroticism and posttraumatic stress disorder (PTSD) and we conducted mendelian randomization (MR) analyses to examine whether neuroticism clusters of worry, depressed affect, and sensitivity to environmental stress and adversity (SESA) were involved in the development of PTSD.MethodWe obtained data on three neuroticism clusters, PTSD, and nine other psychiatric disorders from genome‐wide association studies summary statistics and employed univariable, multivariable, and mediation MR analyses to explore causal associations among them.ResultsNeuroticism clusters were linked with PTSD (depressed affect (odds ratio [OR]: 2.94 [95% confidence interval: 2.21–3.92]); SESA (2.69 [1.95–3.71]; worry (1.81 [1.37–2.99])). Neuroticism clusters were also associated with psychiatric disorders, with the depressed effect on panic disorder (PD) (2.60 [1.14–5.91]), SESA on anorexia nervosa (AN) (2.77 [1.95–3.94]) and schizophrenia (2.55 [1.99–3.25]), worry on major depressive disorder (MDD) (2.58 [2.19–3.05]). In multivariable MR, only the SESA‐PTSD association remained (2.60 [2.096, 3.107]) while worry‐PTSD and depressed affect‐PTSD associations attenuated to nonsignificance. Mediation MR analyses suggested that PD mediated 3.76% of the effect of depressed effect on PTSD and AN mediated 10.33% of the effect of SESA on PTSD.ConclusionDelving deeper into neuroticism clusters, we comprehensively understand the role of neuroticism in PTSD.
Apathy and Impulsivity Co‐Occur in Huntington's Disease
Authors: Morris Lee‐Anne , Horne Kyla‐Louise , Paermentier Laura , Buchanan Christina M. , MacAskill Michael , Myall Daniel , Husain Masud , Roxburgh Richard , Anderson Tim , Heron Campbell Le 
Published: September 2024

ABSTRACTBackgroundApathy is a debilitating behavioral change in Huntington's disease (HD), but impulsivity in HD has not been well documented, and the co‐occurrence of these behaviors in HD has not been investigated.ObjectiveOur objective was to determine whether apathy and impulsivity co‐occur in people with HD and their associations with quality of life.MethodsCarriers of Huntington's gene expansion (premanifest to mild motor manifest disease; n = 42) along with healthy controls (n = 20) completed measures of apathy (Apathy Evaluation Scale and Apathy Motivation Index) and impulsivity (Barratt Impulsiveness Scale‐11 and UPPS‐P impulsivity scale), along with mood, cognition, clinical, and quality of life measures. Apathy and impulsivity measures were each reduced to a single metric per patient using principal component analysis. Correlations and multiple linear regression models determined associations between apathy and impulsivity and the potential influence of other covariates.ResultsApathy and impulsivity were significantly correlated (r = 0.6, p < 0.001, 95% CI [0.36, 0.76]) in HD, with this association remaining after controlling for depressive symptoms, motor disease severity, and cognitive function. Furthermore, apathy and depressive symptoms were associated with poorer quality of life.ConclusionsApathy and impulsivity co‐occur in individuals with premanifest to mild manifest HD and have a significant impact on wellbeing. We add to a growing evidence body that apathy and impulsivity may be intrinsically linked.
The Initial Clinical and Electrophysiological Characteristics of Different Subtypes of Guillain–Barré Syndrome Diagnosed Based on Serial Electrophysiological Examinations
Authors: Yang Shuo , Chen Na , Zhang Lei , Wang Ying , Chen Lin , Jian Fan , Zhang Zaiqiang , Wang Yilong , Pan Hua 
Published: September 2024

AbstractBackgroundWe aimed to identify different Guillain–Barré syndrome (GBS) subtypes, demyelination, axonal degeneration, and reversible conduction failure (RCF) as early as possible by analyzing the initial clinical and electrophysiological examinations.MethodsThis study retrospectively collected GBS patients between October 2018 and December 2022 at Beijing Tiantan Hospital. The diagnostic criteria for the initial electrophysiological study were based on Rajabally's criteria, and the criteria for the serial electrophysiological study were based on Uncini's criteria. All subjects underwent clinical and electrophysiological evaluations at least twice within 8 weeks.ResultsA total of 47 eligible patients with GBS were included, comprising 19 acute inflammatory demyelinating polyradiculoneuropathy (AIDP), 18 axonal degenerations, and 10 RCFs. In the RCF group, 40%, 30%, and 30% patients were diagnosed as AIDP, axonal, and equivocal at the initial study, respectively. The AIDP group had significantly higher cerebrospinal fluid (CSF) protein than the RCF (123.8 [106.4, 215.1] mg/dL vs. 67.1 [36.8, 85.6] mg/dL, p = 0.002) and axonal degeneration (123.8 [106.4, 215.1] mg/dL vs. 60.8 [34.8, 113.0] mg/dL, p < 0.001) groups. The RCF group had significantly lower Hughes functional grades at admission (3 [2, 4] vs. 4 [4, 4], p = 0.012) and discharge (1.0 [1.0, 2.0] vs. 3.0 [2.0, 3.0], p < 0.001) than the axonal degeneration group and showed significantly shorter distal motor latency (DML), Fmin, Fmean, Fmax, and lower F% than the AIDP group (p < 0.05).DiscussionThe early identification of RCF from AIDP had relatively obvious features, including slightly elevated CSF protein levels and normal or slightly prolonged DML and F‐wave latencies, contrasting with the apparent elevation and prolongation seen in AIDP. Differentiating RCF from axonal degeneration remains challenging. One potential distinguishing factor is that the motor function in RCF tends to be better than in the latter.
Chemical Composition, Anti‐Microbial, and Cytotoxic Activities of Essential Oils from Blumea densiflora var. hookeri (C.B. Clarke ex Hook.f.) C.C. Chang & Y.Q. Tseng Leaves from Vietnam
Authors: Binh Hoang Thi , Diep Trinh Thi , Van Ngoc Nguyen 
Published: September 2024

AbstractThe essential oil from the leaves of Blumea densiflora var. hookeri was analyzed using GC‐MS, and bioassays were performed. GC‐MS identified thirty‐four constituents, representing 79.1 % of the oil composition. The major compounds identified in the oil were (E)‐caryophyllene (15.3 %), viridiflorol (5.5 %), trans‐dauca‐4(11),7‐diene (4.6 %), spathulenol (4.4 %), and isolongifolan‐7‐α‐ol (4.3 %). The antimicrobial activity of the oil was assessed to determine its efficacy against six bacterial strains and one fungal strain using minimum inhibitory concentration (MIC) methods. The essential oil demonstrated antimicrobial activity against all tested microorganisms. A cytotoxicity assay was performed on KB and A549 cancer cell lines using the MTT method. The essential oil displayed strong cytotoxic effects on both cell lines, with IC50 values of 1.40±0.05 μg/mL for KB and 1.72±0.04 μg/mL for A549.
Secondary Metabolites from the Endophytic Fungus Letendraea helminthicola A820 with Anti‐Inflammatory Activity
Authors: Zhang Jianpeng , Tan Ziling , Chen Yuchan , Li Chunan , Li Saini , Liu Hongxin , Zhang Weimin , Yan Hanjing 
Published: September 2024

AbstractTwo undescribed letendrones A−B (1–2), along with three known compounds, ZL‐6 (3), dankasterone B (4), and minimoidione B (5) were isolated from the Aquilaria‐derived fungus Letendraea helminthicola A820. The structures of 1 and 2 were established by analysis of spectroscopes including 1D/2D NMR, IR, UV, and HRESIMS. Among them, the configuration of 1 was further confirmed by single‐crystal X‐ray diffraction. Letendrones A and B were the new phenalenyl derivatives with radical form that were firstly found in nature. In addition, bioactivity of these compounds was evaluated and compounds 3–5 exhibited inhibitory activity against LPS‐induced NO production in macrophages with IC50 values of 4.64, 13.90, and 34.07 μM. Furthermore, potential targets of the new compounds were analyzed by molecular docking in silico. As a result, compound 1 showed high binding with predicted 5‐HT2c receptor (▵G=−8.2 kcal/mol) potentially associated with depression disease, and compound 2 showed significant connection with phosphodiesterase 3 A (▵G=−9.4 kcal/mol) probably against cardiovascular disorders. Our findings firstly reported the high symmetry phenalenyl compounds from natural products which would provide a basis for further development and utilization of the secondary metabolites from the endophytic fungus Letendraea helminthicola A820.
Terlipressin‐induced skin necrosis in cirrhotic patients—A case report and comprehensive literature review
Authors: Ahmed Ashraf I. , Kaleem Muhammad Zain , Abbarh Shahem , Barjas Haider Hussein , Ismail Abdellatif , Albuni Mhd Kutaiba , Sawaf Bisher 
Published: September 2024

Key Clinical MessageThe occurrence of terlipressin‐induced skin necrosis in cirrhotic patients is a rare but serious adverse event that warrants further investigation. Clinicians should be aware of this potential complication in cirrhotic patients receiving terlipressin therapy and closely monitor for any signs of skin necrosis. Early recognition and prompt intervention are crucial in preventing further complications and improving patient outcomes. Further research is needed to better understand the risk factors associated with terlipressin‐induced skin necrosis and to develop effective preventive strategies. Overall, healthcare providers should exercise caution when prescribing terlipressin to cirrhotic patients, weighing the potential benefits against the risks of this rare but significant adverse event.AbstractTerlipressin is commonly used to manage conditions related to portal hypertension, such as hepatorenal syndrome and esophageal variceal bleeding. Despite its therapeutic benefits, terlipressin can rarely lead to severe ischemic complications involving the skin vasculature, known as terlipressin‐induced skin necrosis. We present a 50‐year‐old male with cirrhosis and acute variceal bleeding who developed skin necrosis following terlipressin administration. We performed a comprehensive review of the literature by analyzing 18 case reports/case series comprising 22 cirrhotic patients with terlipressin‐induced skin necrosis. Among these individuals, we found a mean age of 51 years with a male predominance (78%). Further analysis showed that the onset of skin necrosis ranged from 2 to 5 days post‐terlipressin initiation, with bolus administration being predominant (85.7%). The underlying pathophysiological mechanisms of terlipressin‐induced skin ischemia are still elusive but primarily attributed to the vasoconstrictive and thrombogenic effects. Management involves terlipressin discontinuation and supportive care. Physicians should be aware of this potential complication in patients receiving terlipressin and closely observe for any signs of skin rash.
Kinetic and Parametric Studies on Oleic Acid Esterification Catalyzed by Purolite CT151
Authors: İlgen Oğuzhan , Baytaş Elif 
Published: September 2024

AbstractIn this study, the impact of reaction parameters, reaction kinetics, and mechanism on the esterification of oleic acid with methanol using Purolite CT151 as a heterogeneous catalyst was investigated. The effects of molar ratio, reaction time, and catalyst amount were examined. The highest oleic acid conversion of 84 % was achieved under the following conditions: methanol/oleic acid molar ratio of 12:1, 20 wt. % catalyst amounts, a reaction time of 7 h, and a reaction temperature of 67 °C. The surface characterization was performed with FTIR and scanning electron microscope analysis. The proposed reaction model was based on the Eley–Rideal mechanism, where methanol adsorbed onto the catalyst surface reacted with oleic acid before water desorption.