3,427,124 results match your criteria: "structure & drug-design » Aix-Marseille Universite[Affiliation]"

Background: Multifrequency MR elastography (mMRE) enables noninvasive quantification of renal stiffness in patients with chronic kidney disease (CKD). Manual segmentation of the kidneys on mMRE is time-consuming and prone to increased interobserver variability.

Purpose: To evaluate the performance of mMRE combined with automatic segmentation in assessing CKD severity.

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Aerolysin Nanopore Electrochemistry.

Acc Chem Res

January 2025

Molecular Sensing and Imaging Center, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.

ConspectusIons are the crucial signaling components for living organisms. In cells, their transportation across pore-forming membrane proteins is vital for regulating physiological functions, such as generating ionic current signals in response to target molecule recognition. This ion transport is affected by confined interactions and local environments within the protein pore.

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A systematic series of QM cluster models has been developed to predict the trend in the carbonic anhydrase binding affinity of a structurally diverse dataset of ligands. Reference DLPNO-CCSD(T)/CBS binding energies were generated for a cluster model and used to evaluate the performance of contemporary density functional theory methods, including Grimme's "3c" DFT composite methods (rSCAN-3c and ωB97X-3c). It is demonstrated that when validated QM methods are used, the predictive power of the cluster models improves systematically with the size of the cluster models.

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The reactions of LAlH (L = HC(CMeNAr), Ar = 2,6-PrCH) (1) with diphenylphosphane oxide [PhP(O)H], diphenylphosphinamide [PhP(O)NH], and diaryl/alkyl phosphane [(RO)P(O)H (R = Ph, or Pr)] afford their corresponding compounds with compositions LAl(H)OP(Ph) (2), LAl[OP(Ph)] (3), LAl{[N(H)P(O)(Ph)][OP(Ph)]} (4), LAl(OPr) (5), and LAl(OPh) (6), respectively. These reactions probably undergo a process of dehydrogenation coupling, deaminating dehydrogenation coupling, or chain-breaking coupling. It is noteworthy to mention that the reaction of compound 1 with 2 equiv.

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Importance: Clinical trials are vital for advancing cancer treatments and improving patient outcomes. Understanding the factors that influence participants' decision-making is critical for enhancing trial recruitment.

Objective: To evaluate the attitudes of patients with cancer and their relatives toward clinical trial participation, identifying key barriers and motivators that affect their willingness to engage in such trials.

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Importance: Cannabis use has increased globally, but its effects on brain function are not fully known, highlighting the need to better determine recent and long-term brain activation outcomes of cannabis use.

Objective: To examine the association of lifetime history of heavy cannabis use and recent cannabis use with brain activation across a range of brain functions in a large sample of young adults in the US.

Design, Setting, And Participants: This cross-sectional study used data (2017 release) from the Human Connectome Project (collected between August 2012 and 2015).

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Entangled Illnesses: Embodied Experiences of Managing Multimorbidity.

Sociol Health Illn

February 2025

Tampere Centre for Science, Technology and Innovation Studies, Faculty of Social Sciences, Tampere University, Tampere, Finland.

Multimorbidity, meaning multiple long-term conditions impacting a person's health, has become a rising societal and public health issue. The article contributes to the sociological study of chronic illness and multimorbidity by analysing how the blurriness of illnesses and entanglement of symptoms in multimorbidity is experienced and negotiated by people with coexisting chronic conditions. Drawing on qualitative interviews with people who live with endometriosis, fibromyalgia or hormonal migraine in Finland, we show how people with multiple chronic conditions distinguish between evolving symptoms based on past embodied experiences to make decisions about how to best manage their health.

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Introduction: Decreased left atrial appendage emptying velocity (LAAV) is a marker for thrombus formation. This study evaluates the association between LAAV and inflammatory indices in non-valvular atrial fibrillation (AF) patients.

Methods: The study population was 1428 patients with AF, 875 of whom enrolled.

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Background: Breast cancer remains a significant global health challenge, requiring innovative therapeutic strategies. In silico methods, which leverage computational tools, offer a promising pathway for vaccine development. These methods facilitate antigen identification, epitope prediction, immune response modelling, and vaccine optimization, accelerating the design process.

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Objective: This study aimed to investigate loss to follow-up (LFU) rates within breast and cervical cancer screening programs in Kenitra-Morocco, identifying contributing factors from both patient and healthcare worker perspectives to enhance care continuity.

Methods: The study was a non-experimental, mixed-methods design conducted in three-phases. We started by identifying LFU women and their characteristics from medical records, interviewing LFU women to ascertain reasons for discontinuation, and surveying healthcare workers for perceived determinants of LFU through semi-structured questionnaires.

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A new diterpenoid, carneadiol, isolated from Nocardia carnea IFM 12324.

J Nat Med

January 2025

Graduate School of Pharmaceutical Sciences, Chiba University, 1-8-1 Inohana, Chuo-ku, Chiba, 260-8675, Japan.

A new diterpenoid, carneadiol (1), with an unprecedented tricyclic carbon skeleton, was isolated from the culture extracts of Nocardia carnea IFM 12324. The structure of compound 1 was elucidated using spectral studies, including various NMR data. The absolute configuration of 1 was determined using X-ray crystallographic analysis with the crystalline sponge method.

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Self-perceived and measured visual function, the impact of eye-disease, wellbeing, social determinants, and personality traits in Swedish 70-year-olds-results from the Gothenburg H70 Study.

Acta Ophthalmol

January 2025

Neuropsychiatric Epidemiology Unit, Department of Psychiatry and Neurochemistry, Institute of Neuroscience and Physiology, Sahlgrenska Academy, University of Gothenburg, Gothenburg, Sweden.

Purpose: To explore the potential correlation between subjective and measured visual function, as well as to analyse the influence of eye disease, socioeconomic factors and emotional dimensions.

Methods: Semi-structured interviews, physical examinations and functional tests (n = 1203). Demographics covered sex, marital status, education, household economy, smoking and alcohol.

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Multifunctional Graphdiyne Enables Efficient Perovskite Solar Cells via Anti-Solvent Additive Engineering.

Nanomicro Lett

January 2025

CAS Key Laboratory of Organic Solids, Institute of Chemistry, Beijing National Laboratory for Molecular Sciences, Chinese Academy of Sciences, Beijing, 100049, People's Republic of China.

Finding ways to produce dense and smooth perovskite films with negligible defects is vital for achieving high-efficiency perovskite solar cells (PSCs). Herein, we aim to enhance the quality of the perovskite films through the utilization of a multifunctional additive in the perovskite anti-solvent, a strategy referred to as anti-solvent additive engineering. Specifically, we introduce ortho-substituted-4'-(4,4″-di-tert-butyl-1,1':3',1″-terphenyl)-graphdiyne (o-TB-GDY) as an AAE additive, characterized by its sp/sp-cohybridized and highly π-conjugated structure, into the anti-solvent.

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With the emergence of high-quality sequencing technologies, further research on transcriptomes has become possible. Circular RNA (circRNA), a novel type of endogenous RNA molecule with a covalently closed circular structure through "back-splicing," is reported to be widely present in eukaryotic cells and participates mainly in regulating gene and protein expression in various ways. It is becoming a research hotspot in the non-coding RNA field.

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An Exploratory Model of How Ethical Indicators Predict Health Professional Burnout.

Res Nurs Health

January 2025

Department of Kinesiology, Sport, and Recreation, College of Health and Human Services, Eastern Illinois University, Charleston, Illinois, USA.

The objectives of this study were to characterize burnout in five different health professions (i.e., pharmacists, nurses, occupational therapists, psychologists, and mental health counselors) as well as to determine if moral distress, ethical stress, and/or ethical climate were predictive of burnout and job satisfaction.

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Background: The incidence of skin cancer among Danes is one of the highest in the world. Most skin cancers are, however, avoidable with sun protection and reduction of exposure. One way to increase awareness could be through personal biofeedback information about skin DNA damage.

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Nanobodies or variable antigen-binding domains (VH) derived from heavy chain-only antibodies (HcAb) occurring in the Camelidae family offer certain superior physicochemical characteristics like enhanced stability, solubility, and low immunogenicity compared to conventional antibodies. Their efficient antigen-binding capabilities make them a preferred choice for next-generation small biologics. In the present work, we design an anti-SARS-CoV-2 bi-paratopic nanobody drug conjugate by screening a nanobody database.

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Quinoline is a highly privileged scaffold with significant pharmacological potential. Introducing a carbonyl group into the quinoline ring generates a quinolone ring, which exhibits promising biological properties. Incorporating a carboxamide linkage at different positions within the quinoline and quinolone frameworks has proven an effective strategy for enhancing pharmacological properties, particularly anticancer potency.

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Melanoma, a highly aggressive skin cancer, remains a significant cause of mortality despite advancements in therapeutic strategies. There is an urgent demand for developing vaccines that can elicit strong and comprehensive immune responses against this malignancy. Achieving this goal is crucial to enhance the efficacy of immunological defense mechanisms in combating this disease.

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The detection of cysteine (Cys) and homocysteine (Hcy) in biological fluids has great significance for early diagnosis, including Alzheimer's and Parkinson's disease. The simultaneous determination of Cys and Hcy with a single probe is still a huge challenge. To enlarge the differences in space structure (line and ring) and energy (-721.

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All-solid-state batteries (ASSBs) are pursued due to their potential for better safety and high energy density. However, the energy density of the cathode for ASSBs does not seem to be satisfactory due to the low utilization of active materials (AMs) at high loading. With small amount of solid electrolyte (SE) powder in the cathode, poor electrochemical performance is often observed due to contact loss and non-homogeneous distribution of AMs and SEs, leading to high tortuosity and limitation of lithium and electron transport pathways.

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This study utilized in-depth interviews for examining the impact of the restrictions and lockdown of the COVID-19 pandemic on small church congregations in Nigeria. Thus, it explored ways and means through which small congregations with structural and social limitations dealt with the severe restrictions of the period as well as the impact of these on ministry, social reach and growth. While the pandemic inter alia made the churches creative, it challenged the capacity of members even as it opened-up spaces for "polygamous" worshippers and the unchurched.

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Effect of Ultrasound Treatment on Structural and Physical Properties of Native Maize Starch.

Plant Foods Hum Nutr

January 2025

Instituto de Ciencia y Tecnología de Alimentos Córdoba (ICYTAC) - CONICET-UNC, Av. Juan Filloy S/N, Ciudad Universitaria, Córdoba, Argentina.

The focus of this work was to evaluate the differences between the thermal and mechanical effects generated by ultrasound waves on the properties of corn starch, which facilitate the subsequent enzymatic hydrolysis for the generation of porous starches. The results showed that both the thermal and mechanical effects have the capacity to disorganize/alter the structure of starch, impacting on its properties. Characteristics such as particle size, pasting and thermal properties (peak viscosity 1400-1800 cp.

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ABC-type salt tolerance transporter genes are abundant and mutually shared among the microorganisms of the hypersaline Sambhar Lake.

Extremophiles

January 2025

Microbiology Laboratory, Department of Botany (DST-FIST and UGC-DRS Funded), Institute of Science, Visva-Bharati (A Central University), Santiniketan, West Bengal, 731235, India.

To fish-out novel salt-tolerance genes, metagenomic DNA of moderately saline sediments of India's largest hypersaline Sambhar Lake was cloned in fosmid. Two functionally-picked clones helped the Escherichia coli host to tolerate 0.6 M NaCl.

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Evaluating and Comparing the Content Coverage of Quality Measure Sets from Israel, the United States, and the United Kingdom.

J Gen Intern Med

January 2025

Braun School of Public Health and Community Medicine, Hadassah Medical Organization, Faculty of Medicine, Hebrew University of Jerusalem, Jerusalem, Israel.

Background: Quality of care can be measured in several dimensions: different clinical disciplines, structures/processes/outcomes of care (SPO), and also different domains of quality (effectiveness, safety, care coordination, patient-centeredness, efficiency, timeliness, and community/population health). To our knowledge, no previous study has compared different sets of performance measures in terms of how well they cover these different aspects of quality.

Objective: Compare the content coverage of major quality measure sets from Israel, the US, and the UK.

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