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The investigation of new drugs is slow and costly. Drug repositioning, like with Hydralazine (HDZ), an old antihypertensive, can accelerate the process. HDZ and its hydrazonic derivatives exhibit diverse biological activities, promising for new drugs. This review explores HDZ's repositioning potential and its derivatives' applications in various biological activities. It identified 70 relevant articles through database searches. HDZ shows potential in neurology, oncology, nephrology, and gynecology, with clinical trials up to Phase III. Hydralazine-valproate, marketed in Mexico, proves effective in combination with chemotherapy. Hydrazonic derivatives offer broad applications in medicine. Studying their structure-activity relationship can enhance efficacy. This review summarizes their properties and pharmacological activities succinctly., (© 2024 Wiley-VHCA AG, Zurich, Switzerland.)

In the quest for synthesizing biologically important natural products, medicinal chemists embark on an endless journey. This review focuses on the reports published towards the syntheses of diarylheptanoids, classifying them into linear, tetrahydropyran, diarylether, and biphenyl categories. The synthesis methods for each class from 2013 to 2023 are discussed, providing a comprehensive overview of the advancements in the field. Representative natural product examples are highlighted for each category. The review emphasizes the importance of diarylheptanoids in the realms of chemistry and medicine, showcasing their potential as valuable compounds for medicinal and synthetic chemists., (© 2024 The Authors. Chemistry - An Asian Journal published by Wiley-VCH GmbH.)

The imperative use of pesticides for enhancing agricultural productivity has become inevitable. Unfortunately, the unregulated and indiscriminate application of these pesticides extends beyond the intended target areas, with residues persisting for months to even years. This lack of precision and information has triggered widespread pest outbreaks, posing significant health risks to both humans and other organisms due to pesticide residues in food. The presence of even trace amounts of these residues has emerged as a major impediment to international trade in food commodities. To address these challenges and align with sustainable practices, the article highlights the urgent need for controlled pesticide techniques, including organic farming, safe harvest indices, and bioremediation, which are crucial aspects of mitigating admixed micropollutants in the environment. The discussion covers the impact of pesticides on food quality, effective residue management, and the vital role of regulatory bodies. Drawing from diverse sources, the work seeks to provide a concise yet comprehensive overview and solutions to the challenges of pesticide management. Highlights: Highlights unintended consequences of unregulated pesticide use and health risks. Pesticide residues impede trade and compromise agricultural product safety. Persistent residues cause pest outbreaks, threatening human and environmental health. Advocates organic practices, safe harvest indices, and bioremediation for mitigation. Tackles pesticide challenges to safeguard food security and promote sustainability. [ABSTRACT FROM AUTHOR]

Leishmaniases comprise a set of neglected diseases, afflicting over one million people worldwide and frequently leading to fatal outcomes, mainly in their visceral form. The current treatment often comes with severe side effects and limitations regarding its effectiveness. It is imperative to explore novel therapeutic avenues that are more potent and less toxic. In this study, we successfully synthesized α-acyloxycarboxamides (also known as depsipeptides). These compounds underwent rigorous evaluation through a combination of molecular docking, molecular dynamics (MD) simulations, and in vitro assessments against both promastigote and amastigote forms of Leishmania amazonensis. Notably, most of the α-acyloxycarboxamides showed substantially low cytotoxicity in peritoneal macrophages with a CC50 above 400 μM, whereas amphotericin B (positive control) showed a CC50 value greater than 50 μM. This effect is reflected in the selectivity index (SI), where compounds 7a1 and 7db1 showed more favorable results (SI >14.66 and 10.44) when compared to the positive control (SI > 10.36). In vitro experiments demonstrated that the α-acyloxycarboxamides effectively inhibited the growth of axenic promastigote forms of L. amazonensis. Particularly, compounds 7a1 (IC50 = 31.83 μM) and 7db1 (IC50 = 33.88 μM) stood out, displaying significant activity in reducing intracellular parasites as well (IC50 = 27.28 and 38.31 μM, respectively). To gain insights into the potential pathway of activity for compound 7a1, we conducted in silico studies targeting predictive pharmacokinetic parameters and the application of reverse molecular docking utilizing critical biological targets, followed by molecular dynamics (MD) simulations. Among 59 Leishmania targets, the reverse approach suggested that compound 7a1 targets the N-myristoyltransferase enzyme by establishing only hydrophobic interactions with four amino acid residues at the binding site, with an affinity energy of −8.98 kcal mol−1. Subsequently, MD simulations were performed to obtain further information on its binding modes and complex stability under physiological conditions, in which it was observed that the macromolecule presented great stability in the presence of compound 7a1 (<1.0 Å), suggesting a stable ligand–target complex formation. Regarding ADMET studies, a-acyloxycarboxamides demonstrated promising properties, with no violations of the Lipinski rule. This study underscores the promise of α-acyloxycarboxamides as potential therapeutic candidates targeting leishmaniasis. Developing these compounds could lead to more effective and less toxic treatments, addressing a critical need in the fight against this neglected disease. [ABSTRACT FROM AUTHOR]

Dinuclear Re(I) complexes have proportionally been much less studied than mononuclear analogues. In particular, very little information is available about their solid-state emission properties. In this work, two structural isomers of dinuclear complexes (Bi-Re-metaPhe and Bi-Re-paraPhe), which differ by the relative position of the coordination spheres on a central phenyl ring, were synthesized and compared with each other and with the parent mononuclear compound (Mono-Re-Phe), from a theoretical and experimental point of view. In solution, the electronic, electrochemical and spectroscopic properties of the dinuclear complexes were almost identical, and rather close to those of the monomer. In the solid state, the photoluminescence (PL) efficiency of dimers was not higher than that of the monomer, but a clear mechanoresponsive luminescence (MRL) effect appeared only for the former ones. The positional isomerism influenced the amplitude of this effect, as well as the aggregation-induced emission (AIE) properties in a water-acetonitrile mixture. This study reveals the importance of positional isomerism to modulate the emission properties in the solid state. It also shows the advantage of dinuclear structures to access new MRL-active materials. [ABSTRACT FROM AUTHOR]

Background: Otogenic meningitis represents the most common and life-threatening complication of infective middle ear diseases. However, no guidelines are available to describe the optimal management strategy and the role of surgical intervention. Methods: A six-year multicenter retrospective study on consecutive patients treated for otogenic meningitis caused by acute otitis and re-exacerbation of chronic otitis at the University Hospital of Verona and Modena was performed, and a systematic review regarding acute otitis media-related meningitis in accordance with the PRISMA 2020 statement was then conducted. Results: From the clinical chart analysis, 16 patients with surgical indications according to our decision-making flow chart were reviewed, with most of them undergoing surgery within 7 days of admission (n = 13, 81%). The systematic review ultimately utilized 24 studies (16 case reports and 8 case series) published between 1990 and 2023, with the overall analysis involving a total of 181 patients. Conclusion: The primary treatment for acute bacterial meningitis relies on antibiotic therapy, with surgical intervention being employed in the event of complications and when the initial treatment is not effective within 48 h. The objective of surgery is to sterilize the tympanic and mastoid cavity, thereby eradicating the suspected infective foci and managing any eventual intracranial complications. [ABSTRACT FROM AUTHOR]

The tricarbonylrhenium complexes that incorporate a mesoionic carbene ligand represent an emerging and promising class of molecules, the solid-state optical properties of which have rarely been investigated. The aim of this comprehensive study is to compare three of these complexes with their 1,2,3-triazole-based analogues. The Hirshfeld surface analysis of the crystallographic data revealed that the triazolylidene derivatives are more prone to π–π interactions than their 1,2,3-triazole-based counterparts. The FT-IR and electrochemical data indicated a stronger electron donor effect from the organic ligand to the rhenium atom for triazolylidene derivatives, which was confirmed by DFT calculations. All compounds were phosphorescent in solution, where the 1,2,3-triazole-based complexes showed unusually strong dependence on dissolved oxygen. All compounds also emitted in the solid state, some of them exhibited marked solid-state luminescence enhancement (SLE) effect. The 1,2,3-triazole based complex Re-Phe even displayed astounding photoluminescence efficiency with quantum yield up to 0.69, and proved to be an excellent candidate for applications linked to aggregation-induced emission (AIE). Interestingly, one triazolylidene-based complex (Re-T-BOP) showed attractive antibacterial activity. This study highlights the potential of these new molecules for applications in the fields of photoluminescent and therapeutic materials, and provides the first bases for the design of efficient molecules in these research areas. [ABSTRACT FROM AUTHOR]

A series of novel piperazine based cinnamic acid bearing coumarin derivatives were designed and synthesized by piperazine based cinnamic acids esterification with 4-hydroxycoumarin and characterized by various spectral techniques like infrared, 1 H nuclear magnetic resonance (NMR), 13 C NMR, and mass. The novel bioactive compounds (7a-7m) screen their potential against different bacterial and fungal strains. Compound 7g (minimum inhibitory concentration [MIC] = 12.5 µg/ml) exhibited potent antibacterial activity against Escherichia coli strain. Compounds 7d, 7f, 7g, 7k, 7l, and 7m showed potent antibacterial activity against all bacterial strains. Compounds 7a, 7g, 7h, 7k, 7l, and 7m exhibited potent antifungal activity against all fungal strains. Furthermore, a molecular docking study revealed that compounds 7d, 7f, 7g, and 7k could bind to the active site of E. coli DNA gyrase subunit B protein and form hydrogen bonding with crucial amino acid residues Arg136 in the active sites. Comprehensively, our study recommends that 7d, 7f, 7g, and 7k could be a promising lead for developing more efficient antimicrobial drug candidates and DNA gyrase inhibitors., (© 2022 Wiley Periodicals LLC.)

The intensification of agriculture has promoted the simplification and specialization of agroecosystems, resulting in negative impacts such as decreasing landscape heterogeneity and increasing use of plant protection products (PPP), with the acceleration of PPP transfers to environmental compartments and loss in biodiversity. In this context, the present work reviews the various levers for action promoting the prevention and management of these transfers in the environment and the available modelling tools. Two main categories of levers were identified: (1) better control of the application, including the reduction of doses and of PPP dispersion during application thanks to appropriate equipment and settings, PPP formulations and consideration of meteorological conditions; (2) reduction of post-application transfers at plot scales (soil cover, low tillage, organic matter management, remediation etc. and at landscape scales using either dry (grassed strips, forest, hedgerows and ditches) or wet (ponds, mangroves and stormwater basins) buffer zones. The management of PPP residues leftover in the spray tanks (biobeds) also represents a lever for limiting point-source PPP pollution. Numerous models have been developed to simulate the transfers of PPPs at plot scales. They are scarce for landscape scales. A few are used for regulatory risk assessment. These models could still be improved, for example, if current agricultural practices (e.g. agro-ecological practices and biopesticides), and their effect on PPP transfers were better described. If operated alone, none of the levers guarantee a zero risk of PPP transfer. However, if levers are applied in a combined manner, PPP transfers could be more easily limited (agricultural practices, landscape organization etc.)., Competing Interests: Declarations. Ethics approval and consent to participate: Not applicable Consent to publish: Not applicable. Competing interests: The authors declare no competing interests., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

The absolute and relative configurations of a macrocyclic natural product bearing multiple chirality have a crucial influence on its physical and biological properties. Nevertheless, their preparation with full stereocontrol remains largely unexplored in synthetic community. Here, we show a stereodivergent macrocyclization under dynamic chiral confinement in which the stepwise chirality switching of a chiral space directs complete stereocontrol. To confine a substrate in a dynamic chiral space, we used a chiral capsule enclosing a substrate which is collectively switchable in the chirality in response to external stimuli, but their conformations are firmly fixed by subsequent self-assembly. The consecutive chirality switching enables the confined reactions of an enclosed achiral substrate to sequentially install diverse chirality on a macrocycle product with full stereocontrol in a single pot operation, thus changing only a sequence of physical stimuli enables access to a remarkable stereodivergence in a macrocyclization process., (© 2024 Wiley-VCH GmbH.)

Patients often report to dental practice with a wide range of chief complaints. At times, young adult patients, seemingly fit clinically, report extensively damaged dentition. It is important that such patients be evaluated more extensively and the etiology if any, for such debilitated dentition, must be assessed. Dental implants are a successful treatment modality that helps to restore the function and esthetics of a patient. Early dental implant failure refers to the dental implant's failure to osseointegrate with the native bone during the phase of healing. This article describes one such young adult patient of 34 years, who presented with a history of dental implant failures without any underlying systemic comorbidities. The patient's elaborate history was taken and it was found that the patient had a severe vitamin D deficiency. Following treatment of the deficiency, the case was managed effectively with the help of a maxillary cement-retained implant-supported full-arch fixed prosthesis and, an implant and tooth-supported mandibular cast partial denture. [ABSTRACT FROM AUTHOR]

Soursop (Annona muricata) is a tropical tree whose decoction derived from bark, root, seed, or leaf has been used for medicinal uses. In addition, the fruit itself is considered a food, and the juice is utilized to treat heart and liver diseases. The aim of this study was to determine the phenolic content. In addition, a water-soluble fraction of the soursop fruit pulp (WSSP) was examined for the following properties: antioxidant, mutagenic, and antimutagenicity. UV-visible spectrophotometry determined total phenolic content by the Folin-Ciocalteu method to be 11.22 ± 0.6 mg of gallic acid equivalent per gram dried extract, and free-radical scavenging activity by the 2,2′-diphenyl-1-picryl-hydrazyl (DPPH•) showed an EC50 of 1032 µg/ml. In the Salmonella/microsome assay, no marked mutagenicity was induced following WSSP treatment, and a chemopreventive capacity was observed in the antimutagenic assay. The cytotoxicity assays were carried out using the water-soluble tetrazolium salt and lactate dehydrogenase (LDH) assays demonstrated that WSSP induced significant cytotoxicity in MCF-7 and Caco-2 cells, indicating greater effectiveness of cytotoxic action by destroying cell membrane integrity. Data suggest that WSSP may exert beneficial effects as a DNA chemopreventive and antitumor agent. [ABSTRACT FROM AUTHOR]

Introduction: The World Health Organisation (WHO) accepted the Integrated People-centred Health Services (IPCHS) framework in 2016 as an essential component for achieving universal health coverage in fragmented health systems. We aimed to examine the empirical applications of the WHO IPCHS framework to guide its use in strengthening health-service research. Methods: Academic databases and the IPCHS website were searched for relevant articles published between 2016 and July 2023. Two reviewers independently screened and extracted data on the study design, setting, IPCHS framework components, and facilitators and barriers to implementing the IPCHS strategies. Descriptive and content analyses were conducted. Results: Six studies were identified using the IPCHS framework. Studies have examined a combination of the five IPCHS strategies. All studies reported building strong primary care-based systems and coordinating care for individuals. Continued relationships and trust, co-production of health programmes, diversity of health care team, and technology were major facilitators, while low health literacy, lack of primary setting capacity and healthcare workforce were principal barriers to IPCHS implementation. Conclusion: This scoping review offers an overview of IPCHS strategies employed in healthcare research. Generally, the IPCHS framework remains underutilised in primary research. These results offer guidance for future research to support effective healthcare delivery. [ABSTRACT FROM AUTHOR]

Changes in cerebrospinal fluid (CSF) dynamics can have adverse effects on neuronal function. We hypothesized that patients with hypoxic–ischemic brain injury (HIBI) showing poor neurological outcomes after cardiac arrest (CA) would exhibit changes in CSF dynamics, leading to abnormalities in gas diffusion within the CSF. Therefore, we investigated the prognostic value of the CSF partial pressure of carbon dioxide (PcsfCO2) in CA survivors who underwent targeted temperature management (TTM). We retrospectively analyzed the 6-month neurological outcomes, CSF, and arterial blood gas parameters of 67 CA survivors. Patients were divided into good and poor neurological outcome groups, and the predictive value of PcsfCO2 for poor neurological outcomes was assessed using receiver operating characteristic curve analysis. Among all patients, 39 (58.2%) had poor neurological outcomes. Significant differences in PcsfCO2 levels between the groups were observed, with lower PcsfCO2 levels on Day 1 showing the highest predictive value at a cutoff of 30 mmHg (area under the curve, sensitivity, and specificity were 0.823, 77.8%, and 79.0%, respectively). These results suggest that PcsfCO2 might serve not only as a unique marker for the severity of hypoxic–ischemic brain injury (HIBI), independent of extracorporeal CO2 levels, but also as an objective indicator of changes in CSF dynamics. This study highlights the potential prognostic and diagnostic utility of PcsfCO2 during TTM in CA survivors, emphasizing its importance in evaluating CSF dynamics and neurological recovery post CA. However, larger multicenter studies are warranted to address potential limitations associated with sample size and outcome assessment methods. [ABSTRACT FROM AUTHOR]

There is a long history in environmental sciences to investigate and understand the fate of chemicals in the environment. For pesticides, this has led to systematic assessments of compounds by both academic and regulatory bodies, particularly for soil and water. As we show here, in recent years, there is an increasing interest in the potential presence of pesticide residues in air and related exposure risks. Based on a literature review for the years 2002–2022, we find a growing number of air monitoring studies with an average of 6.7 studies/year since 2020, with passive sampling methods contributing significantly to this rise. Most studies are concentrated in Europe and North America, with France leading in the number of monitoring studies. However, due to a lack of harmonization, and thus, the use of diverse methods and approaches, it remains challenging to derive potential exposure risks, to assess data quality of studies, and to compare datasets. In this perspective, we focus on current and emerging trends of different air monitoring approaches and highlight how they influence the interpretation of data. To improve the comparability and utility of data, and to ensure that air monitorings meet certain quality requirements, we propose a path forward, including: (1) Standardization and harmonization of methods: Adopting well-characterized and widely applied methods from air quality research as a basis for standardizing pesticide monitoring, with a clear distinction between relevant exposure and total air concentrations. (2) Tiered approach for monitoring programs: A dynamic concept where initial passive sampling identifies potential exposure risks, followed by active sampling for quantitative data, and, if necessary, extensive monitoring programs. This approach balances the need for detailed data with resource constraints. (3) Data interpretation and transparency: Public availability of data and clear reporting of methods, analysis, and uncertainties are crucial for the credibility and utility of monitoring studies. Overall, we see that harmonization of standards is critical for assessing exposure risks from pesticides in air and for informing regulatory decisions and mitigation strategies. Collaboration with the air quality and atmospheric research community is strongly recommended to leverage existing expertise in sampling, analysis, and data interpretation. [ABSTRACT FROM AUTHOR]

The critical care management of patients after cardiac arrest is burdened by a lack of high-quality clinical studies and the resultant lack of high-certainty evidence. This results in limited practice guideline recommendations, which may lead to uncertainty and variability in management. Critical care management is crucial in patients after cardiac arrest and affects outcome. Although guidelines address some relevant topics (including temperature control and neurological prognostication of comatose survivors, 2 topics for which there are more robust clinical studies), many important subject areas have limited or nonexistent clinical studies, leading to the absence of guidelines or low-certainty evidence. The American Heart Association Emergency Cardiovascular Care Committee and the Neurocritical Care Society collaborated to address this gap by organizing an expert consensus panel and conference. Twenty-four experienced practitioners (including physicians, nurses, pharmacists, and a respiratory therapist) from multiple medical specialties, levels, institutions, and countries made up the panel. Topics were identified and prioritized by the panel and arranged by organ system to facilitate discussion, debate, and consensus building. Statements related to postarrest management were generated, and 80% agreement was required to approve a statement. Voting was anonymous and web based. Topics addressed include neurological, cardiac, pulmonary, hematological, infectious, gastrointestinal, endocrine, and general critical care management. Areas of uncertainty, areas for which no consensus was reached, and future research directions are also included. Until high-quality studies that inform practice guidelines in these areas are available, the expert panel consensus statements that are provided can advise clinicians on the critical care management of patients after cardiac arrest. [ABSTRACT FROM AUTHOR]

Toll-like receptor 4 (TLR4) is an important mediator that activates bacterial inflammation through its signaling pathway. It binds lipopolysaccharide (LPS) in the presence of myeloid differentiation protein 2 (MD2) to dimerise the TLR4-MD2-LPS complex. The TLR4 mediated signaling pathway stimulates cytokine production in humans, initiating inflammatory responses. Overactivation of the TLR4 pathway can trigger binding of LPS to the TLR4-MD2 complex, which may lead to the development of several inflammatory disorders. Therefore, the TLR4-MD2 complex is a potential therapeutic target for the identification of new and effective anti-inflammatory agents. Various biologically active TLR4 and MD2 targeting natural and synthetic molecules are explored with anti-inflammatory activity in micromolar ranges. But no FDA-approved drugs are available in the market as of now, and some are discontinued in clinical trials due to drug resistance and severe side effects. In this review, we have assessed recent molecular advancements in TLR4-MD2 antagonists which are showing direct inhibition in lower micro and nanomolar levels. Along with it, protein informatics analysis of the binding pockets of wild type and mutated TLR4-MD2 proteins are also discussed here to give a new insight about the changes in physicochemical properties of the ligand binding area. We have also pointed out several important residues in three different sites of the large LPS binding pocket of TLR4-MD2 complex to understand probable binding affinity of small molecule inhibitors (SMIs). In addition, the present status of clinical trials for TLR4 antagonists is also reviewed. The current assessment will pave a future perspective to design different small molecules as a direct inhibitor of TLR4-MD2 complex for anti-inflammatory activities., (© 2024 Wiley Periodicals LLC.)

Background. Bloodstream infection is amongst the leading causes of mortality for critical postoperative patients. However, data, especially from developing countries, are scary. Clinical decision-making tools for predicting postoperative bloodstream infection-related mortality are important but still lacking. Objective. To analyze the distribution of pathogens and develop a nomogram for predicting mortality in patients with postoperative bloodstream infection in the surgical intensive care unit. Methods. The clinical data, infection and pathogen-related data, and prognosis of patients with PBSI in the SICU from January 2017 to January 2022 were retrospectively collected. The distribution of pathogens and clinical characteristics of patients with PBSI were analyzed. The patients were assigned to a died group and a survived group according to their survival status. Independent predictors for mortality were identified by univariate and multivariate analyses. A nomogram for predicting PBSI-related death was developed based on these independent predictors. Calibration and decision-curve analysis were established to evaluate the nomogram. We collected postoperative patients admitted to our center from February 2022 to June 2023 as external validation sets to verify the nomogram. We also add the Brier score to further validate the model. Results. In the training set, 7128 patients admitted to the SICU after different types of surgery were collected. A total of 198 patients and 308 pathogens were finally enrolled. The mean age of patients with PBSI was 64.38 ± 16.22 (range 18–90) years, and 56.1% were male. Forty-five patients (22.7%) died in the hospital. Five independent predictors including BMI, APACHE II score, estimated glomerular filtration rate (eGFR), urine volume in the first 24 hours after surgery, and peak temperature before positive blood cultures were selected to establish the nomogram. The area under the receiver operating characteristic curve for the prediction model was 0.922. Calibration curve and decision curve analysis showed good performance of the nomogram. Seventy patients with PBSI were collected as an external validation set, and thirteen patients died in this set. The external validation set was used to validate the nomogram, and the results showed that the AUC was 0.930 which was higher than that in the training set indicating that the nomogram had a good discrimination. The brier score was 0.087 for training set and 0.050 for validation set. Conclusions. PBSI was one of the key issues that clinicians were concerned and could be assessed with a good predictive model using simple clinical factors. [ABSTRACT FROM AUTHOR]

Sudan is a rich country in wild plants that play significant roles in securing food and medicine in rural areas, especially. This study explored Sarcocephalus latifolius (African peach) and Vitex doniana (black plum) for their fruits' proximate composition, minerals, total soluble phenols, phenolic acids, total carotenoids, lutein, β–carotene, α–tocopherol, δ–tocopherol and total antioxidant capacity. African peach fruit and black plum pulp showed total soluble phenols amounting to 16.89 mg gallic acid equivalents (GAE)/g of Dry Weight (DW) and 7.56 mg GAE/g DW, respectively. The paramount phenolic acids were cinnamic acid (895 mg/kg DW) in African peach fruit and protocatechuic acid (1200 mg/kg DW) in black plum pulp. Total antioxidant capacities reached 268 µmoles trolox equivalents (TE)/g DW in African peach and 214 µmoles TE/g DW in black plum, when measured from hydrophilic extracts (HPE) using 2, 2-DiPhenyl-1-PicrylHydrazyl (DPPH) assay. The contents of total carotenoid were 47 mg/kg DW and 22.6 mg/kg DW, lutein reached 18.50 mg/kg DW and 15 mg/kg DW whereas β–carotene showed 0.31 mg/kg DW and 0.23 mg/kg DW in African peach and black plum, respectively. African peach showed α–tocopherol (167 mg/kg DW) whereas black plum showed δ–tocopherol (398 mg/kg DW). From this study, we concluded that African peach fruit and black plum pulp could be good sources of nutrition and antioxidants and have high potential for human health. [ABSTRACT FROM AUTHOR]

A new series of Co(II), Zn(II), Ru(III), and Ag(I) complexes with the ligand (Z)‐N′‐(1‐(thiophen‐2‐yl)ethylidene)‐2‐(p‐tolylamino)acetohydrazide (H2L) has been prepared. FT‐IR, 1H‐NMR, electronic spectra, powder X‐ray, and thermal behavior were applied to elucidate the structural composition of new compounds. The electronic spectra proved that the Co(II), Zn(II), and Ru(III) complexes possess tetrahedral geometry, except the Ag(I) complex is a binuclear complex. The mass spectrum of the Zn(II) and Ag(I) chelates and the molecular ion peak observed at m/z values equivalent to the calculated molecular weight confirmed the proposed structure. Also, the SEM scanning electron microscope technique explored the spherical shape of all chelates, and the nanoscale was confirmed through TEM; the transmission electron microscope tool that provided the 7.0 nm was achieved in the case of Zn(II) chelate. Geometry optimization for all synthesized compounds was estimated by density functional theory (DFT) method using the Gaussian09 program. Biological screening as an antimicrobial and antitumor was studied. The Ru(III) complex revealed the greatest antibacterial efficiency, followed by the Co(II) complex. Co(II) complex revealed a greater affinity against fungi such as Candida albicans and Aspergillus niger. All chelate‐induced antitumor effects against the MCF‐7 cell line, especially Ag(I) complex (IC50 = 62.36 μg/mL), exhibited the greatest efficiency. The activity sequence follows the order doxorubicin (standard drugs) > Ag(I) > Zn(II) > ligand < Ru(III) > Co(III) chelates. The molecular docking was performed and validated to support the biological results. [ABSTRACT FROM AUTHOR]

A visible light-enabled synthesis of unsymmetrical ketones has been accomplished by the cross-coupling of α,β-unsaturated carboxylic acids and aryldiazonium salts embracing a synergistic eosin Y and Co(OAc)2·4H2O catalysis. The reaction involves decarboxylative aerobic C＝C bond cleavage, and is endowed with the creation of new C–C and C–O bonds with good substrate scope. [ABSTRACT FROM AUTHOR]

Two luminescent Re(I) complexes, namely mononuclear fac-[ReCl(CO)3(TT-Py)] (1) and hexanuclear [{Re(μ-Cl)(CO)3(μ-TT-Py)}{Re2(μ-Cl)2(CO)6}]2 (2), were isolated in high yields by a one-pot reaction between [ReCl(CO)5] and different amounts of nitrogen-rich 2-pyridine cyclic triimidazole (TT-Py), which acts as a chelating ligand in both derivatives. The metallo-supramolecular cyclic structure of 2, which can be described as a metallacycle in which two mononuclear units of 1 act as bridging ligands towards two "Re2(μ-Cl)2(CO)6" fragments, was confirmed by single-crystal X-ray diffraction analysis. Both complexes were fully characterized in solution by 1D and 2D multinuclear NMR spectroscopy. 1 and 2 exhibit photoluminescence at room temperature in solution, with a broad unstructured emission in the 530–570 nm range. The nature of the excited states involved in the electronic absorption spectrum of 1 was ascertained by a combined density functional theory and time-dependent density functional theory (TD-DFT) study. Both compounds exhibit strong aggregation induced emission enhancement (AIEE), which is more pronounced for 2 leading to a solid state photoluminescence quantum yield of 2.5% that is one of the highest values ever reported for Re(I) polynuclear metallacycles so far. The versatility of TT-Py to adopt variegated coordination modes, previously observed for Cu(I) and Cu(II) derivatives, is confirmed supporting further use of this ligand to obtain new and peculiar emissive mono-, polynuclear and extended coordination systems. [ABSTRACT FROM AUTHOR]

The rise of drug‐resistant microbes necessitates the development of new antimicrobial agents. Increasing resistance among multidrug‐resistant microbes has spurred research efforts to overcome drug resistance through novel scaffolds and strategies. Chalcones, distinguished by their chemical structure of 1,3‐diphenylprop‐2‐en‐1‐one, have exhibited a multifaceted array of biological activities, prominently including antimicrobial and antiviral properties. Modifying the structure by adding substituent groups to the aromatic ring enhances potency, reduces toxicity, and expands pharmacological effects. This review highlights the potential of chalcones and analogues in preventing diseases affected by diverse antibiotic resistance genes, including viruses, bacteria, fungal spores, and Plasmodiidae. Our analysis underscores the fact that a multitude of chalcone compounds effectively obstruct various molecular targets pivotal in the development of antibiotic resistance, thus rendering bacteria vulnerable to conventional antibacterial agents and potentially obliterating resistance mechanisms. Certain chalcone compounds exhibit higher activity levels compared to traditional antibiotics like vancomycin and tetracycline. Additionally, Docking and SAR studies of chalcones summarize their role in developing novel drugs. Chalcones and their derivatives demonstrate promising broad‐spectrum antimicrobial activities. Investigating structure‐activity relationships (SAR) enhances our understanding of chalcone‐based drug design, enabling the development of more effective therapeutic interventions against the pressing global health challenge of antimicrobial resistance. [ABSTRACT FROM AUTHOR]

Background: To compare the real-life effectiveness and safety of ceftaroline fosamil (ceftaroline-F) and ceftobiprole medocaril (ceftobiprole-M) for infections in hospitalized patients. Methods: This comparative, observational, retrospective, and multicenter Spanish study included patients receiving outpatient parenteral antimicrobial therapy (OPAT) and hospitalized patients treated for at least 48 h with ceftaroline-F or ceftobiprole-M between their first incorporation in the clinical protocol of each hospital and 31 July 2022. Results: Ceftaroline-F was administered to 227 patients and ceftobiprole-M to 212. In comparison to the latter, ceftaroline-F-treated participants were younger (63.02 vs. 66.40 years, OR 1.1; 95%CI: 1.001–1.05) and had higher rates of septic shock (OR 0.27; 95%CI: 0.09–0.81) and higher frequencies of targeted (57.7 vs. 29.7%; OR: 0.35; 95%CI: 0.18–0.69) and combined (89.0 vs. 45.8%, OR: 0.13; 95%CI: 0.06–0.28) therapies that were second line or more (82.4% vs. 64.6%%; OR 0.35; 95%CI: 0.18–0.69), and higher rates of infections due to Gram-positive cocci (92.7 vs. 64.7%, p = 0.001), bacteremia (51.9 vs. 21.7%, p = 0.001), infective endocarditis (24.2 vs. 2.4%, p = 0.0001), and mechanical ventilation-associated pneumonia (8.8 vs. 2.4%, p = 0.0001). Ceftobiprole-M was more frequently administered against polymicrobial infections (38.1 vs. 14.0%, p = 0.001), those produced by Gram-negative bacilli (19.7 vs. 6.0%, p = 0.0001), nosocomial pneumonia (33 vs. 10.6%, p = 0.0001), and skin and soft-tissue infections (25.4 vs. 10.1%, p = 0.0001). Patients treated with ceftaroline-F had a longer hospital stay (36 (IQR: 19–60) vs. 19.50 (IQR: 12–30.75, p = 0.0001) days), with no difference in infection-related mortality at 14 (13.2 vs. 8.0%, p = 0.078) or 28 (4.8 vs. 3.3%, p = 0.415) days or in dropout rate for adverse effects (2.2 vs. 0.9%; p = 1). Conclusions: The fifth-generation cephalosporins, ceftaroline-F and ceftobiprole-M, are safe and effective in real life, with no difference between them in health outcomes. [ABSTRACT FROM AUTHOR]

In this study, ship turning in regular waves is investigated after sufficient time has passed after steering. At that time, the ship reaches the so-called periodic steady turning condition, under which the ship turns periodically with a constant drift in waves. The analytical formulas for the turning trajectory in waves are derived using the Fourier series expansion of the surge velocity, lateral velocity, and yaw rate under periodic steady turning conditions. From the obtained formulas, it is found that the ship turning in waves has the following characteristics. The turning trajectory in waves is deformed by ship drift in proportion to time. The drift velocity and the drift direction during turning are then determined by a combination of the average velocity components and first-order velocity components with the turning frequency. Furthermore, the turning trajectory in waves is composed of periodic circular motions with various frequencies in addition to the drift motion, and it is generally not a perfect circle. As a concrete example, using the derived analytical formulas, the turning trajectory for the KCS model in regular waves is analyzed. For the analysis, two turning trajectories obtained using a simulation method based on a two-time scale concept and a free-running model test are used under the same wave conditions. The reasons for the difference between the two are then clarified analytically. [ABSTRACT FROM AUTHOR]

Copyright of Environnement, Risques & Santé is the property of John Libbey Eurotext Ltd. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Environnement, Risques & Santé is the property of John Libbey Eurotext Ltd. and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Our research group previously identified graviquinone (1) as a promising antitumor metabolite that is formed in situ when the antioxidant methyl caffeate scavenges free radicals. Furthermore, it exerted a DNA damaging effect on cancer cells and a DNA protective effect on normal keratinocytes. To expand and explore chemical space around qraviquinone, in the current work we synthesized 9 new alkyl-substituted derivatives and tested their in vitro antitumor potential. All new compounds bypassed ABCB1-mediated multidrug resistance and showed highly different cell line specificity compared with 1. All compounds were more potent in MDA-MB-231 than on MCF-7 cells. The n-butyl-substituted derivatives 2 and 8 modulated the cell cycle and inhibited the ATR-mediated phosphorylation of checkpoint kinase-1 in MCF-7 cells. As a significant expansion of our previous findings, our results highlight the potential antitumor value of alkyl-substituted graviquinone derivatives., (© 2024 The Author(s). ChemMedChem published by Wiley-VCH GmbH.)

Herein, we report a general and simplified synthesis of fluorophosphonates directly from p-nitrophenylphosphonates. This FP on-demand reaction is mediated by a commercially available polymer-supported fluoride reagent that produces a variety (25 examples) of fluorophosphonates in high yields while only requiring reagent filtration for pure fluorophosphonate isolation. This reaction protocol facilitates the rapid profiling of serine hydrolases with diverse and novel sets of activated phosphonates with differential proteome reactivity. Moreover, slight modification of the procedure into a reaction-to-assay format has enabled additional screening efficiency., (© 2021 Wiley-VCH GmbH.)

Our current efforts are aimed to synthesize 16 complexes of Co (II), Ni (II), Cu (II), and Zn (II) metal ions from heterocyclic hydrazone ligands by condensation reaction of 2,6‐diacetylpyridine with hydrazide derivatives to find out combating agent against microorganism diseases. The synthesized compounds were precisely characterized by various physicochemical and spectroscopic techniques like FT‐IR, UV–Vis, 1H and 13C NMR, magnetic susceptibility, ESR, mass spectrometry, powder XRD, TGA, and SEM that suggested the octahedral geometry of the complexes coordinating via enolic oxygen atoms, azomethine nitrogen atom, pyridine ring nitrogen atom of the hydrazone ligands, and oxygen atom of water molecule. The thermal stability of the complexes was demonstrated by thermal analysis revealing two‐step decompositions leaving behind metal oxide as an end residue. By using serial dilution method, the compounds (1–20) were tested for in vitro antimicrobial activity against four bacterial and two fungal pathogens. Among all the synthesized compounds, complex 16 was most active against B. subtilis, whereas complexes 13, 14, and 15 were most efficient for C. albicans. Moreover, the biological efficacy of H2L3(3) ligand and its (13–16) complexes were demonstrated by computational methods like molecular docking, MESP, DFT, and ADMET studies that highlight that complexes have more potency than the ligands and may be employed as effective drug for pathogen‐induced malformations. [ABSTRACT FROM AUTHOR]

A notable advancement of the mechanochemical process has been its ability to initiate reactions that are otherwise extremely difficult/impossible to accomplish. For the first time, in this article, we review the reports on catalyst-free mechanochemical organic transformations. In the literature search, it was evident that catalyst-free mechanochemistry is proving to be superior to catalyst-aided methods, particularly in the reactions of enaminones/enamino esters, aza-Michael additions, Knoevenagel condensations, heterocyclization of amines, synthesis of quinoxalines/dibenzophenazines, cycloadditions, reactions of carbohydrates and fullerenes, transfer hydrogenations, halofunctionalizations, hydroxyfunctionalizations, synthesis of C＝N (imines and hydrazones) and amide bonds, and multicomponent synthesis of oxygen/nitrogen-heterocycles, nitrogen-rich compounds and organic cage structures. Mechanochemical protocols in the selected area generally involve ball milling (including vibrational and planetary milling) and grinding, but ball milling is more prevalent. Twin screw extrusion and vortex mixing were rarely used in the reviewed articles. Furthermore, the reviewed research demonstrated high yields while avoiding non-renewable, toxic, and problematic solvents and reagents. There have been very few solvent-assisted reports where a bio-renewable solvent such as EtOH was used. This review on catalyst-free mechanochemical organic synthesis is intended to spark the interest of the chemical community, including industry and academia, towards working on the selected area concerning chemical as well as environmental sustainability. [ABSTRACT FROM AUTHOR]

Herein, we used isotopic formaldehyde and sodium cyanoborohydride via reductive amination to label two methyl groups on primary amine to arrange the standards (h2-formaldehyde-modified) and internal standards (ISs, d2-formaldehyde-modified) of tryptophan and its metabolites, such as serotonin (5-hydroxytryptamine) and 5-hydroxytryptophan. These derivatized reactions with a high yield are very satisfactory for manufacturing standards and ISs. This strategy will generate one or two methyl groups on amine to create different mass unit shifts with 14 vs. 16 or 28 vs. 32 in individual compounds for biomolecules with amine groups. In other words, multiples of two mass units shift are created using this derivatized method with isotopic formaldehyde. Serotonin, 5-hydroxytryptophan, and tryptophan were used as examples to demonstrate isotopic formaldehyde-generating standards and ISs. h2-formaldehyde-modified serotonin, 5-hydroxytryptophan, and tryptophan are standards to construct calibration curves, and d2-formaldehyde-modified analogs such as ISs spike into samples to normalize the signal of each detection. We utilized multiple reaction monitoring modes and triple quadrupole mass spectrometry to demonstrate the derivatized method suitable for these three nervous biomolecules. The derivatized method demonstrated a linearity range of the coefficient of determinations between 0.9938 to 0.9969. The limits of detection and quantification ranged from 1.39 to 15.36 ng/mL. [ABSTRACT FROM AUTHOR]

Simple Summary: The cave fauna of the Macaronesian archipelagos is rich in endemic species. In this region, most studies have been carried out in the Azores and the Canary Islands. In contrast to these archipelagos, the arthropod fauna of the lava tubes of the Madeira has not been well studied. Madeira is the only island in this archipelago with lava tube complexes suitable for endogenous arthropod species. In the two known complexes, San Vicente and Machico (Cavalum), 13 endemic species have been recorded; among these, there are two critically endangered cave spiders of the genus Centromerus. These caves not only have no protection measures, and while they are not exploited for tourism, they are under serious threats by the frequent passage of people. The San Vicente complex, the largest on the island, has undergone profound structural modifications for its tourist exploitation but still, since its inauguration in 1996, receives thousands of visitors per year. Until now, faunal studies of Madeiran caves have been the result of casual collecting. This work is the first monitoring study of Madeira's cave fauna. One-year monitoring has been done in four lava tubes of Machico: the Cavalum lava tubes (I, II, III) and the Landeiros tube. This study aimed to make a species checklist of the cave fauna present. So far, only three species of Collembola have been described for the Madeira lava tubes. Here we describe four new species, Neelus serratus Jordana & Baquero sp. nov., Coecobrya decemsetosa Jordana & Baquero sp. nov., Coecobrya octoseta Jordana & Baquero sp. nov., and Sinella duodecimoculata Jordana & Baquero sp. nov., and we update the checklist of the Collembola of lava tubes from three to 16 species. At present, the Machico complex caves represent the island's only natural lava tube habitats and are probably the main contributor to Madeira's cave biodiversity. The cave fauna of the Macaronesian archipelagos is rich in endemic species. Unlike the Azores and the Canary Islands, the cave fauna of the Madeira archipelago is little known. The only two cave complexes studied, Machico and São Vicente, lack protection measures. São Vicente is seriously threatened because it is being exploited for touristic purposes, while the Machico complex, the only one in its natural state, is open to the public but without any control. The importance of the conservation of this cave fauna is indisputable. So far, of the 13 cavernicolous species recorded, two of them—genus Centromerus—are critically endangered. Apart from occasional sampling, no monitoring study has ever been carried out. The aim of this work has been to make a species checklist of the cave fauna of the Machico complex, the least studied so far. For this purpose, during 2001–2002, a monitoring study was carried out using traps and manual collections in the lava tubes of Landeiros and Cavalum (I, II, III). Fourteen species of springtails were recorded. Of these, four are new species, Neelus serratus Jordana & Baquero sp. nov., Coecobrya decemsetosa Jordana & Baquero sp. nov., Coecobrya octoseta Jordana & Baquero sp. nov., and Sinella duodecimoculata Jordana & Baquero sp. nov., and one is a new record for the archipelago, Lepidocyrtus curvicollis Bourlet, 1839. [ABSTRACT FROM AUTHOR]

A series of novel 1,3,5‐trisubstituted‐1,2,4‐triazole derivatives were successfully synthesized from the starting materials of caffeic acid (CA) and ferulic acid (FA) in moderate to good yields (45–71 %). All novel compounds were screened for antiproliferative activity against three glioblastoma (GB) cell lines. Several compounds exhibited improved cytotoxic activities compared to the caffeic acid phenethyl ester (CAPE). Among the novel derivatives, 4‐(2‐(1‐benzyl‐3‐phenyl‐1H‐1,2,4‐triazol‐5‐yl)vinyl)‐2‐methoxyphenol (4) exhibited the most potent activity against the U87G, T98G and LN229 cell lines. Western blot results showed significantly reduced poly(ADP‐ribose) polymerase (PARP) and increased the Bcl‐2‐associated X (Bax) protein levels in T98G cells. Also, flow cytometry results using Annexin‐V/Propidium Iodide (PI) staining indicated that apoptosis was induced in T98G cells. It was found to be a promising drug candidate with strong physicochemical and bioavailability properties as a result of SwissADME calculations. These results show that novel compounds containing a 1,2,4‐triazole moiety have a good antiproliferative activity on GB cells. [ABSTRACT FROM AUTHOR]

Since intramolecular π–π stacking interactions can modify the geometry, crystal packing mode, or even the electronic properties of transition metal complexes, they are also likely to influence the solid-state luminescence properties. Following this concept, a new tricarbonylrhenium(I) complex (Re-BPTA) was designed, based on a simple symmetrical 5,5′-dimethyl-4,4′-diphenyl-3,3′-bi-(1,2,4-triazole) organic ligand. The complex was prepared in good yield using a three-step procedure. The crystallographic study revealed that both phenyl rings are located on the same side of the molecule, and twisted by 71° and 62°, respectively, with respect to the bi-(1,2,4-triazole) unit. They overlap significantly, although they are slipped parallel to each other to minimize the intramolecular interaction energy. The π–π stacking interaction was also revealed by 1H NMR spectroscopy, in good agreement with the results of theoretical calculations. In organic solutions, a peculiar electrochemical signature was observed compared to closely-related pyridyl-triazole (pyta)-based complexes. With regard to the optical properties, the stiffness of the Re-BPTA complex led to the stabilization of the 3MLCT state, and thus to an enhancement of the red phosphorescence emission compared to the more flexible pyta complexes. However, an increased sensitivity to quenching by oxygen appeared. In the microcrystalline phase, the Re-BPTA complex showed strong photoluminescence (PL) emission in the green-yellow wavelength range (λPL = 548 nm, ΦPL = 0.52, 〈τPL〉 = 713 ns), and thus a dramatic solid-state luminescence enhancement (SLE) effect. These attractive emission properties can be attributed to the fact that the molecule undergoes little distortion between the ground state and the triplet excited state, as well as to a favorable intermolecular arrangement that minimizes detrimental interactions in the crystal lattice. The aggregation-induced phosphorescence emission (AIPE) effect was clear, with a 7-fold increase in emission intensity at 546 nm, although the aggregates formed in aqueous medium were much less emissive than the native microcrystalline powder. In this work, the rigidity of the Re-BPTA complex is reinforced by the intramolecular π–π stacking interaction of the phenyl rings. This original concept provides a rhenium tricarbonyl compound with very good SLE properties, and could be used more widely to successfully develop this area of research. [ABSTRACT FROM AUTHOR]

This study isolated pure compounds from Canna edulis aerial parts and assessed their antiplatelet and anticoagulant potential. Structural elucidation resulted in the identification of two new compounds: caneduloside A (1) and caneduloside B (2), and eleven known compounds: 6'-acetyl-3,6,2'-tri-p-coumaroyl sucrose (3), 6'-acetyl-3,6,2'-triferuloyl sucrose (4), tiliroside (5), afzelin (6), quercitrin (7), 2-hydroxycinnamaldehyde (8), cinnamic acid (9), 3,4-dimethoxycinnamic acid (10), dehydrovomifoliol (11), 4-hydroxy-3,5-dimethoxybenzaldehyde (12), and (S)-(-)-rosmarinic acid (13). Compounds 3, 4, 6-9, 13 were previously reported for antithrombotic properties. Hence, antithrombotic tests were conducted for 1, 2, 5, 10-12. All tested compounds demonstrated a dose-dependent antiaggregatory effect, and 10 and 12 were the most potent for both ADP and collagen activators. Additionally, 10 and 12 showed anticoagulant effects, with prolonged prothrombin time and activated partial thromboplastin time. The new compound 1 displayed antiplatelet and anticoagulant activity, while 2 mildly inhibited platelet aggregation. C. edulis is a potential source for developing antithrombotic agents., (© 2024 Wiley-VHCA AG, Zurich, Switzerland.)

Background: Health coaching-based interventions can support behaviour change to improve oral health. This scoping review aims to identify key characteristics of health coaching-based interventions for oral health promotion. Methods: The Preferred Reporting Items for Systematic reviews and Meta-Analyses extension for Scoping Reviews checklist and the Joanna Briggs Institute manual for evidence synthesis were used in this review. A search strategy using medical subject heading terms and keywords was developed and applied to search the following databases: CINAHL, Ovid, PubMed, Cochrane Library and Scopus. Thematic analysis was used to synthesise the data. Results: Twenty-three studies met the inclusion criteria and were included in this review. These studies were predominantly based on health coaching and motivational interviewing interventions applied to oral health promotion. The following are the characteristics of health coaching-based interventions extracted from themes of the included studies: (a) Health professionals should be trained on the usage of motivational interviewing/health coaching interventions; (b) oral health professionals should acquire motivational techniques in their practice to engage patients and avoid criticisms during the behaviour change process; (c) routine brief motivational interviewing/health coaching intervention sessions should be introduced in dental clinics; (d) traditional oral health education methods should be supplemented with individually tailored communication; and (e) for cost-effectiveness purposes, motivational interviewing/health coaching strategies should be considered. Conclusions: This scoping review reveals that health coaching-based techniques of health coaching and motivational interviewing can significantly impact oral health outcomes and behaviour change and can improve oral health professional–patient communication. This calls for the use of health coaching-based techniques by dental teams in community and clinical settings. This review highlights gaps in the literature, suggesting the need for more research on health coaching-based intervention strategies for oral health promotion. [ABSTRACT FROM AUTHOR]