bluuebunny/crossref_metadata_2025_split huggingface dataset:
Impact of trazodone once‐a‐day on quality of life and functional recovery in adults with major depressive disorder: A prospective, observational study
Authors: Tellone Valeria , Markovic Oto , Strashimirova Milena , Sani Gabriele , Lenderking William R. , Margolis Mary Kay , Fallone Raffaella , Quarchioni Elisa , Cattaneo Agnese , Comandini Alessandro 
Published: July 2024

AbstractBackgroundHealth‐related quality of life (HRQL) is an important goal for patients with major depressive disorder (MDD), but whether antidepressants improve HRQL in these patients is unclear. Here, we describe the real‐world effects of trazodone once‐a‐day (TzOAD) and selective serotonin reuptake inhibitor (SSRI) treatments on HRQL and functioning in adults with MDD.MethodsThis 8‐week prospective, observational, open‐label, multicenter study was conducted in adults with moderate or severe MDD for whom TzOAD or SSRI were prescribed as monotherapy. The primary outcome was life enjoyment and satisfaction assessed via the patient‐reported Quality‐of‐Life Enjoyment and Satisfaction Questionnaire Short Form (Q‐LES‐Q‐SF) from baseline to week 8. Secondary outcomes included change in Q‐LES‐Q‐SF from baseline to weeks 1 and 2; severity of depressive symptoms using the Montgomery Åsberg Depression Rating Scale (MADRS) and sleep disturbance via the PROMIS SF‐SD 8b questionnaire at weeks 1, 2, and 8; and overall functioning via the Sheehan Disability Scale (SDS), hedonic capacity using the Snaith–Hamilton Pleasure Scale (SHAPS), and cognitive dysfunction using the Perceived Deficits Questionnaire (PDQ‐5) at baseline and week 8.ResultsThe study included 208 adults with MDD (mean [SD] age = 50.2 [14.3] years; 68.6% female; 98.4% White). Life enjoyment and satisfaction improved from baseline to week 8 for both treatment groups: Q‐LES‐Q‐SF mean (SD) scores were 27.5 (20.4) for the SSRI group and 39.0 (22.1) for the TzOAD group. Depressive symptoms and sleep disturbances also reduced from baseline to week 8: MADRS (SSRI, −15.7 [8.3]; TzOAD, −21.0 [9.8]); PROMIS SF‐SD 8b (SSRI, −9.9 [12.6]; TzOAD, −22.0 [12.6]). Mean change scores in Q‐LES‐Q‐SF, MADRS, and PROMIS SF‐SD 8b improved as early as week 1 in both groups. Mean scores also improved from baseline to week 8 on SDS (SSRI, −9.2 [7.4]; TzOAD, −14.3 [7.5]), SHAPS (SSRI, −6.6 [4.3]; TzOAD, −8.3 [4.4]), and PDQ‐5 (SSRI, −5.8 [4.5]; TzOAD, −7.7 [5.0]).ConclusionsIn adults with MDD who received TzOAD or SSRIs, overall and individual HQRL domains improved rapidly and in parallel with improvements in depressive symptoms, with a slightly greater improvement observed in the TzOAD group.
New Prospective Insecticidal Agents Based on N‐(arylcarbamothioyl)arylmide Derivatives Against Spodoptera frugiperda: Design, Synthesis, Toxicological, Biological, Biomedical Studies and Antibacterial Activity
Authors: Khalaf Mai M. , Abd El‐Lateef Hany M. , Gouda Mohamed , Almarri Mohammed N. , Abdelhamid Antar A. , AL‐Ghamdi Saleh , Amer Amer A. , Gad Mohamed A. 
Published: July 2024

AbstractIn this work, a novel series of N‐(arylcarbamothioyl)arylmide) 2–11 were synthesized by treating One‐Pot three‐multicomponent of Aroyl chloride, ammonium isothiocyanate and amine compounds under refluxing conditions. Using spectroscopic methods, the chemical structure of the novelty developed compounds were investigated. After five days, the proposed derivatives’ insecticidal bioassay was assessed using the median lethal concentration (LC50) against the second & fourth larvae of Spodoptera frugiperda as toxicity agents. The findings showed that, to varying degrees, every tested substance exerted insecticidal effects on S. frugiperda larvae in both of their instars. Compound 9 was the most poisonous of them all, having an LC50 against larvae in their second and fourth instars of 60.45 and 123.21 mg/L, respectively. Additionally, a few biological and biochemical characteristics of the substances that were generated in a lab setting were also looked at. Furthermore, this work discusses how to discover novel compounds that may one day be employed as insecticidal agents. Finally, all the designed components were monitored for their antibacterial effectiveness toward both Gram‐positive & Gram‐negative bacteria.
Immune landscape of hepatocellular carcinoma: From dysregulation of the immune responses to the potential immunotherapies
Authors: Pourbagheri‐Sigaroodi Atieh , Momeny Majid , Rezaei Nima , Fallah Fatemeh , Bashash Davood 
Published: July 2024

AbstractHepatocellular carcinoma (HCC) presents a considerable global health burden due to its late diagnosis and high morbidity. The liver's specific anatomical and physiological features expose it to various antigens, requiring precise immune regulation. To the best of our knowledge, this is the first time that a comprehensive overview of the interactions between the immune system and gut microbiota in the development of HCC, as well as the relevant therapeutic approaches are discussed. Dysregulation of immune compartments within the liver microenvironment drives HCC pathogenesis, characterized by elevated regulatory cells such as regulatory T cells (Tregs), myeloid‐derived suppressor cells, and M2 macrophages as well as suppressive molecules, alongside reduced number of effector cells like T cells, natural killer cells, and M1 macrophages. Dysbiosis of gut microbiota also contributes to HCC by disrupting intestinal barrier integrity and triggering overactivated immune responses. Immunotherapy approaches, particularly immune checkpoint inhibitors, have exhibited promise in HCC management, yet adoptive cell therapy and cancer vaccination research are in the early steps with relatively less favorable outcomes. Further understanding of immune dysregulation, gut microbiota involvement, and therapeutic combination strategies are essential for advancing precision immunotherapy in HCC.
Regioselective Deacetylation in Nucleosides and Derivatives
Authors: Grabbe Charis , Cai Li 
Published: July 2024

AbstractNucleoside analogues are a promising class of natural compounds in the pharmaceutical industry, and many antiviral, antibacterial and anticancer drugs have been created through structural modification of nucleosides scaffold. Acyl protecting groups, especially the acetyl group, play an important role in the protection of hydroxy groups in nucleoside synthesis and modification; consequently, numerous methodologies have been put forth for the acetylation of free nucleosides. However, for nucleosides that contain different O‐ and N‐based functionalities, selective deprotection of the acetyl group(s) in nucleosides has been studied little, despite its practical significance in simplifying the preparation of partially or differentially substituted nucleoside intermediates. In this mini‐review, recent approaches for regioselective deacetylation in acetylated nucleosides and their analogues are summarized and evaluated. Different regioselectivities (primary ester, secondary ester, full de‐O‐acetylation, and de‐N‐acetylation) are summarized and discussed in each section.
Conformational Selection in Enzyme‐Catalyzed Depolymerization of Bio‐based Polyesters
Authors: Lopez‐Lorenzo Ximena , Ranjani Ganapathy , Syrén Per‐Olof 
Published: July 2024

AbstractEnzymatic degradation of polymers holds promise for advancing towards a bio‐based economy. However, the bulky nature of polymers presents challenges in accessibility for biocatalysts, hindering depolymerization reactions. Beyond the impact of crystallinity, polymer chains can reside in different conformations affecting binding efficiency to the enzyme active site. We previously showed that the gauche and trans chain conformers associated with crystalline and amorphous regions of the synthetic polyethylene terephthalate (PET) display different affinity to PETase, thus affecting the depolymerization rate. However, structural‐function relationships for biopolymers remain poorly understood in biocatalysis. In this study, we explored the biodegradation of previously synthesized bio‐polyesters made from a rigid bicyclic chiral terpene‐based diol and copolymerized with various renewable diesters. Herein, four of those polyesters spanning from semi‐aromatic to aliphatic were subjected to enzymatic degradations in concert with induced‐fit docking (IFD) analyses. The monomer yield following enzymatic depolymerization by IsPETase S238 A, Dura and LCC ranged from 2 % to 17 % without any further pre‐treatment step. The degradation efficiency was found to correlate with the extent of matched substrate and enzyme conformations revealed by IFD, regardless of the actual reaction temperature employed. Our findings demonstrate the importance of conformational selection in enzymatic depolymerization of biopolymers. A straight or twisted conformation of the polymer chain is crucial in biocatalytic degradation by showing different affinities to enzyme ground‐state conformers. This work highlights the importance of considering the conformational match between the polymer and the enzyme to optimize the biocatalytic degradation efficiency of biopolymers, providing valuable insights for the development of sustainable bioprocesses.
Bio‐electrocatalytic Alkene Reduction Using Ene‐Reductases with Methyl Viologen as Electron Mediator
Authors: Wei Zheng , Knaus Tanja , Damian Matteo , Liu Yuxin , Santana Cássia S. , Yan Ning , Rothenberg Gadi , Mutti Francesco G. 
Published: July 2024

AbstractAsymmetric hydrogenation of alkene moieties is important for the synthesis of chiral molecules, but achieving high stereoselectivity remains a challenge. Biocatalysis using ene‐reductases (EReds) offers a viable solution. However, the need for NAD(P)H cofactors limits large‐scale applications. Here, we explored an electrochemical alternative for recycling flavin‐containing EReds using methyl viologen as a mediator. For this, we built a bio‐electrocatalytic setup with an H‐type glass reactor cell, proton exchange membrane, and carbon cloth electrode. Experimental results confirm the mediator's electrochemical reduction and enzymatic consumption. Optimization showed increased product concentration at longer reaction times with better reproducibility within 4–6 h. We tested two enzymes, Pentaerythritol Tetranitrate Reductase (PETNR) and the Thermostable Old Yellow Enzyme (TOYE), using different alkene substrates. TOYE showed higher productivity for the reduction of 2‐cyclohexen‐1‐one (1.20 mM h−1), 2‐methyl‐2‐cyclohexen‐1‐one (1.40 mM h−1) and 2‐methyl‐2‐pentanal (0.40 mM h−1), with enantiomeric excesses ranging from 11 % to 99 %. PETNR outperformed TOYE in terms of enantioselectivity for the reduction of 2‐methyl‐2‐pentanal (ee 59 % ± 7 % (S)). Notably, TOYE achieved promising results also in reducing ketoisophorone, a challenging substrate, with similar enantiomeric excess compared to published values using NADH.
Kounis syndrome type I induced by an intramuscular injection of diclofenac: A literature review based on a case report
Authors: Ebrahimi Pouya , Nazari Roozbeh , Senobari Nahid , Mousavinezhad Seyedeh Maryam , Ghadimi Delaram J. , Soleimani Hamidreza 
Published: July 2024

Key Clinical MessageThe history of any allergy to the medications should be asked by physicians before administration of the medication. The coincidence of allergic and ACS symptoms after a short time of drug administration might be an indicator of Kounis syndrome. Allergic and coronary symptoms should be considered and treated.AbstractIschemic heart disease is still the leading cause of death worldwide. Some medications, including NSAIDS and antibiotics, can cause allergic reactions with cardiac manifestations due to spasms of the coronary arteries. In this case, we present a patient with chest pain syndrome due to a hypersensitivity reaction caused by an intramuscular (IM) diclofenac injection. The patient was a 51‐year‐old male who presented to the emergency department complaining of retrosternal chest pain, breathlessness, and pruritis that started half an hour after an IM diclofenac injection he had because of low back pain. The allergic symptoms subsided with an antihistamine injection, but chest pain and dyspnea remained stable. He was admitted due to the presence of ST‐segment depression in leads II, III, and AVF and underwent percutaneous coronary angiography, which was normal. The patient was discharged with the diagnosis of Kounis syndrome, and he had an uneventful follow‐up 1 year later. Kounis hypersensitivity‐associated acute coronary syndrome, especially type I variant coronary spasm due to endothelial dysfunction is a type of acute myocardial syndrome. The following report describes an uncommon case of anaphylaxis‐associated Kounis type I syndrome manifesting ST‐segment changes in a male patient following an intramuscular injection of diclofenac.
Remimazolam for simultaneous percutaneous mitral valve clip and percutaneous left atrial appendage closure in an elderly patient with impaired cardiac function: A case report
Authors: Yamaguchi Sumika , Ishida Yusuke , Sasaki Tomomi , Higuchi Satoshi , Bito Kiyoko , Oe Katsunori 
Published: July 2024

Key Clinical MessageRemimazolam is a short‐acting benzodiazepine sedative with a short half‐life and little circulatory depression. The safe use of remimazolam in the anesthetic management of an elderly patient with impaired cardiac function is reported. The patient's hemodynamics remained stable, and the patient was managed without serious complications. Remimazolam may be an option for sedation in elderly patients with reduced cardiac function.
Exohedral Diels‐Alder Reactivity of Endohedral Metallofullerene C36
Authors: Santha Bhaskaran Athul , Romero del Blanco Dani , Romero‐Rivera Adrià , Osuna Sílvia , Swart Marcel 
Published: July 2024

AbstractUnderstanding the exohedral reactivity of metallofullerenes is crucial for its application in various fields. By systematically controlling the trapped species inside the fullerene its reactivity can be tamed. In this work we report the preferential position of 3d metal atoms inside the C36 cage and their effect on exohedral reactivity in comparison with the neutral and the dianionic cage. The Diels‐Alder (DA) reaction between butadiene and all non‐equivalent [5‐5], [6‐5] and [6‐6] C−C bonds on the fullerene cage was considered for the analysis, by using density functional theory at the S12g/TZ2P level including COSMO solvation model to elucidate the complete mechanistic pathways. Our results indicate that the preferential position of the metal ion is at the position close to the upper hexagon, and that the general trend in the reactivity of bonds follows the order [5‐5]>[6‐5]>[6‐6]. Moreover, the encapsulation of metal atoms further enhances the reactivity of these bonds, by lowering the LUMOs of the cage, hence maximizing the orbital interactions.
A New Structural Motif in Aggregation of Methylalumoxanes: Non‐Hydrolytic Route by the Alkylation of Dicarboxylic Acids
Authors: Pietrzykowski Antoni , Justyniak Iwona , Szejko Vadim , Skrok Tomasz , Radzymiński Tomasz , Suwińska Kinga , Lewiński Janusz 
Published: July 2024

AbstractAlumoxanes are typically produced via controlled hydrolysis of short‐chain alkyl aluminium compounds which leads to oligomeric species that are usually difficult to obtain in crystalline form. Simultaneously, various alternative non‐hydrolytic approaches to alumoxanes have also been used. In this work, we report on a new methylalumoxane scaffold derived from the alkylation of a series of dicarboxylic acids: itaconic acid (HO2CCH2C(=CH2)CO2H), succinic acid (HO2CCH2CH2CO2H) and homophthalic acid (HO2CCH2C6H4CO2H). The reactions of AlMe3 with a selected dicarboxylic acid in the molar ratio 4 : 1 conducted at elevated temperature occur with double methylation of each carboxylic group and provide to the formation of a new methylalumoxane aggregate, Me10Al6O4, flanked by methylaluminium diolate units. We also aimed to obtain dialkylaluminium derivatives of dicarboxylic acids by the controlled reaction of the appropriate acid with AlMe3 in the 1 : 2 stoichiometry. While the synthesis of organoaluminium derivatives of flexible aliphatic dicarboxylic acids (itaconic and succinic acids) is challenging due to their insolubility, the related homophtalate compound readily forms a molecular tetranuclear cluster, [([(O2CCH2C6H4CO2)(μ‐AlMe2)2]2. The molecular and crystal structures of the resulting compounds were determined via NMR spectroscopic analysis and single crystal X‐ray diffraction crystallography.
CaLi2PN3 – A Quaternary Chain‐Type Nitridophosphate by Medium‐Pressure Synthesis
Authors: Pritzl Reinhard M. , Fahle Nadine , Witthaut Kristian , Wendl Sebastian , Schnick Wolfgang 
Published: July 2024

AbstractNitridophosphates are in the focus of current research interest due to their structural versatility and properties, such as ion conductivity, ultra‐incompressibility and luminescent properties when doped with suitable activator ions. Multinary representatives often require thorough investigation due to the competition with the thermodynamically more stable binary and ternary compounds. Another point of concern is the synthetic control of structural details, which is usually limited by conventional bottom‐up syntheses. In this study, we report on the synthesis and characterization of the quaternary nitridophosphate CaLi2PN3. Various synthesis protocols were used for the preparation of CaLi2PN3, including the novel nitridophosphate double salt approach. The crystal structure was solved and refined from single‐crystal X‐ray diffraction data and confirmed by Rietveld refinement, solid‐state NMR spectroscopy, EDX measurements and low‐cost crystallographic calculations. The experimental results were corroborated by DFT calculations, which revealed the electronic band structure. Formation energy calculations allowed conclusions to be drawn about the stability in comparison to the initial ternary nitridophosphates. The synthesis of CaLi2PN3 exemplifies the enormous potential of medium‐pressure syntheses in the field of nitridophosphate research. Furthermore, the presented new synthesis route allows a certain degree of structural control, which is a promising addition to previous synthesis strategies in nitridophosphate chemistry.
The Configuration Identification of Guanine Molecules Adsorbed on the Si(100) Surface by Using XPS Shake‐up Satellites and NEXAFS
Authors: Wang Shuyi , Guo Jingdong , Shen Hujun , Li Xiong , Cen Chao , Cai Shaohong , Deng Mingsen 
Published: July 2024

AbstractBioelectronic devices can be manufactured by organic‐inorganic hybrid systems based on biomolecules and silicon semiconductors. The performance of the hybrid systems is largely determined by the adsorption manners of biomolecules on the silicon surface. In this paper, we demonstrated that the X‐ray photoelectron spectroscopy (XPS) shake‐up satellites and near‐edge X‐ray absorption fine‐structure (NEXAFS) spectra at the carbon K‐edges can be used to distinguish the interface of guanine molecules anchored on Si(100) surface. There are only 9 possible stable guanine@Si(100) hybrid systems that have been found based on the density functional theory. According to the characteristic peaks, it is confirmed that NEXAFS spectra are more sensitive to the identification of adsorption configurations. While the first characteristic peak in the low energy region of NEXAFS spectra are capable of distinguishing chemical bonds at the interface of the adsorption configurations. These results may facilitate a better understanding of the interface formations between biomolecules and silicon surfaces, which could be further utilized for the new bioelectronic device design.
Ultrasonic Disintegration of Municipal Sludge: Fundamental Mechanisms, Process Intensification and Industrial Sono‐Reactors
Authors: Djellabi Ridha , Su Peidong , Ambaye Teklit Gebregiorgis , Cerrato Giuseppina , Bianchi Claudia L. 
Published: July 2024

AbstractSludge disintegration is an environmental and industrial challenge that requires intensive research and technological development. Sludge has a complex structure with a high yield of various chemical and biological compounds. Anaerobic digestion is the most commonly used process for sludge disintegration to produce biogas, detoxify sludge, and generate biosolids that can be used in agriculture . Biological cell lysis is the rate‐limiting cell lysis. This review discusses the application of sonolysis as a sludge pretreatment for enhanced anaerobic digestion via three combined processes: thermal destruction, hydrochemical shear forces, and radical oxidation. The mechanistic pathways of sono‐pretreatment to enhance biogas, sludge‐enhanced dewatering, activation of filamentous bacteria, oxidation of organic pollutants, release of heavy metals, reduction of bulking and foaming sludge, and boosting ammonia‐oxidizing bacterial activity are discussed in this review. This article also discusses the use of ultrasound in sludge disintegration, highlighting its potential in conjunction with Fenton and cation‐binding agents, and reviews common large‐scale sonoreactors available on the market..
Synthesis and Functionalization of Biodegradable Second Harmonic Generation Nanoprobes for Cell Targeting
Authors: Ulucay Edagul , Bollier Pomone , Spilioti Marina , Sonay Ali Yasin , Kalyviotis Konstantinos , Pantazis Periklis 
Published: July 2024

AbstractOptical imaging technologies and cell targeting have played a major role in detecting and treating diseases such as cancer. Bioharmonophores are optical imaging nanoprobes composed of biodegradable polymer–encapsulated, self‐assembling triphenylalanine peptides. They produce a strong second harmonic generation (SHG) signal, a non‐linear optical process in which two photons directed at a non‐centrosymmetric medium combine to form a new photon with twice the energy. Bioharmonophores demonstrate superior optical properties compared to fluorescent probes and, unlike previously developed inorganic SHG nanoprobes, are both biocompatible and biodegradable. Here, we present a protocol providing five detailed procedures that describe (1) synthesis of bioharmonophores; (2) embedding and imaging of the synthesized SHG nanoprobes in polyacrylamide gel; (3) functionalization of bioharmonophores with thiol‐containing polyethyleneglycol; (4) subsequent click chemistry to target cancer cells; and (5) imaging of functionalized bioharmonophores endocytosed by cancer cells using two‐photon microscopy. Bioharmonophores hold great potential as clinical contrast agents due to their optical features and could be used in the future as an innovative approach to cancer treatment using targeted high‐resolution optical imaging. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Synthesis of bioharmonophoresBasic Protocol 2: Imaging of bioharmonophores in polyacrylamide gelBasic Protocol 3: Functionalization of bioharmonophores with thiol‐PEGBasic Protocol 4: Functionalization of thiol‐PEGylated bioharmonophores with peptidesBasic Protocol 5: Targeting of cancer cells with functionalized bioharmonophores