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1.
ChemistryOpen ; : e202400076, 2024 Jul 04.
Article in English | MEDLINE | ID: mdl-38963159

ABSTRACT

[cn]daisy chain molecular muscle architectures are self-assemblies of hermaphrodite monomers, which usually contain a macrocycle unit linked to a molecular thread that contains sites of interactions - i. e. molecular stations - for the macrocycle. In these multiply threaded structures, altering with control the affinity between macrocycles and stations allows for contraction and extension of the molecule, which is reminiscent of the operation of a muscle. Besides, the field that consists of combining helix and template-containing rods to design foldaxane supramolecular assemblies is still underexplored. By using foldamer units as surrogates for macrocycles, Gan et al. reported the first supramolecular muscle-like foldamer-containing switch that can adopt, after chemical stimulus, either a contracted co-conformational state or a degenerate-like state for which a slow exchange occurred between the contracted and the stretched state.

2.
Food Chem ; 459: 140234, 2024 Jun 27.
Article in English | MEDLINE | ID: mdl-38991449

ABSTRACT

The coexistence of multiple contaminates in the environment and food is of growing concern due to their extremely hazard as a well-known class I carcinogen, like aflatoxin B1 (AFB1) and benzo(α)pyrene (BaP). AFB1 and BaP are susceptible to coexistence in environmental water and edible oil, posing a significant potential risk to environmental monitoring and food safety. The remaining challenges in detecting multiple contaminates include unsatisfied sensitivity, insufficient targets selectivity, and interferences in complex matrices. Here, we developed dual-template magnetic molecularly imprinted polymers (DMMIPs) for selective extraction of dual targets in complex matrices from the environment and food. The DMMIPs were fabricated by surface imprinting with vinyl-functionalized Fe3O4 as carrier, 5,7-dimethoxycoumarin and pyrene as dummy templates, and methacrylamide as functional monomer. The DMMIPs showed excellent adsorption ability (12.73-15.80 mg/g), imprinting factors (2.01-2.58), and reusability of three adsorption-desorption cycles for AFB1 and BaP. The adsorption mechanism including hydrogen bond, electrostatic interaction and van der Waals force was confirmed by physical characterization and DFT calculation. Applying DMMIPs in magnetic solid phase extraction (MSPE) followed by high-performance liquid chromatography (HPLC) analysis enabled detection limits of 0.134 µg/L for AFB1 and 0.107 µg/L for BaP. Recovery rates for water and edible oil samples were recorded as 86.2%-110.3% with RSDs of 4.1%-11.9%. This approach demonstrates potential for simultaneous identification and extraction of multiple contaminants in environmental and food.

3.
Article in English | MEDLINE | ID: mdl-38995665

ABSTRACT

Two ionic hydrogen-bonded organic frameworks (iHOFs) assembled from 4-cyano-N-(4-cyanobenzyl)pyridinium, have been crystallized with Br- and antimony(III) pentabromide, [SbBr5]2-, as counter-ions and characterized. These are 4-cyano-N-(4-cyanobenzyl)pyridinium bromide, C14H10N3+·Br-, and bis[4-cyano-N-(4-cyanobenzyl)pyridinium] antimony(III) pentabromide, (C14H10N3)2[SbBr5]. The CH...NC interactions induced by templating anions construct disparate frameworks. Hirshfeld surface analysis indicated that these crystals exhibit two types of hydrogen-bonding interactions, specifically CH...NC and CH...Br. Consecutive reverse-parallel CH...NC hydrogen-bonding interactions in these crystals induced the formation of a large number of CH...NC bonds which exhibit both cis and trans configurations.

4.
J Cheminform ; 16(1): 80, 2024 Jul 15.
Article in English | MEDLINE | ID: mdl-39010144

ABSTRACT

MOTIVATION: Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent years, incorporating diverse levels of additional chemical knowledge dependency. RESULTS: This paper introduces UAlign, a template-free graph-to-sequence pipeline for retrosynthesis prediction. By combining graph neural networks and Transformers, our method can more effectively leverage the inherent graph structure of molecules. Based on the fact that the majority of molecule structures remain unchanged during a chemical reaction, we propose a simple yet effective SMILES alignment technique to facilitate the reuse of unchanged structures for reactant generation. Extensive experiments show that our method substantially outperforms state-of-the-art template-free and semi-template-based approaches. Importantly, our template-free method achieves effectiveness comparable to, or even surpasses, established powerful template-based methods. SCIENTIFIC CONTRIBUTION: We present a novel graph-to-sequence template-free retrosynthesis prediction pipeline that overcomes the limitations of Transformer-based methods in molecular representation learning and insufficient utilization of chemical information. We propose an unsupervised learning mechanism for establishing product-atom correspondence with reactant SMILES tokens, achieving even better results than supervised SMILES alignment methods. Extensive experiments demonstrate that UAlign significantly outperforms state-of-the-art template-free methods and rivals or surpasses template-based approaches, with up to 5% (top-5) and 5.4% (top-10) increased accuracy over the strongest baseline.

5.
Front Neural Circuits ; 18: 1431119, 2024.
Article in English | MEDLINE | ID: mdl-39011279

ABSTRACT

Memory-guided motor shaping is necessary for sensorimotor learning. Vocal learning, such as speech development in human babies and song learning in bird juveniles, begins with the formation of an auditory template by hearing adult voices followed by vocally matching to the memorized template using auditory feedback. In zebra finches, the widely used songbird model system, only males develop individually unique stereotyped songs. The production of normal songs relies on auditory experience of tutor's songs (commonly their father's songs) during a critical period in development that consists of orchestrated auditory and sensorimotor phases. "Auditory templates" of tutor songs are thought to form in the brain to guide later vocal learning, while formation of "motor templates" of own song has been suggested to be necessary for the maintenance of stereotyped adult songs. Where these templates are formed in the brain and how they interact with other brain areas to guide song learning, presumably with template-matching error correction, remains to be clarified. Here, we review and discuss studies on auditory and motor templates in the avian brain. We suggest that distinct auditory and motor template systems exist that switch their functions during development.


Subject(s)
Auditory Perception , Learning , Vocalization, Animal , Animals , Vocalization, Animal/physiology , Learning/physiology , Auditory Perception/physiology , Memory/physiology , Finches/physiology , Brain/physiology , Male
6.
Health Res Policy Syst ; 22(1): 82, 2024 Jul 11.
Article in English | MEDLINE | ID: mdl-38992666

ABSTRACT

BACKGROUND: Understanding and comparing health systems is key for cross-country learning and health system strengthening. Templates help to develop standardised and coherent descriptions and assessments of health systems, which then allow meaningful analyses and comparisons. Our scoping review aims to provide an overview of existing templates, their content and the way data is presented. MAIN BODY: Based on the WHO building blocks framework, we defined templates as having (1) an overall framework, (2) a list of indicators or topics, and (3) instructions for authors, while covering (4) the design of the health system, (5) an assessment of health system performance, and (6) should cover the entire health system. We conducted a scoping review of grey literature published between 2000 and 2023 to identify templates. The content of the identified templates was screened, analyzed and compared. We found 12 documents that met our inclusion criteria. The building block `health financing´ is covered in all 12 templates; and many templates cover ´service delivery´ and ´health workforce'. Health system performance is frequently assessed with regard to 'access and coverage', 'quality and safety', and 'financial protection'. Most templates do not cover 'responsiveness' and 'efficiency'. Seven templates combine quantitative and qualitative data, three are mostly quantitative, and two are primarily qualitative. Templates cover data and information that is mostly relevant for specific groups of countries, e.g. a particular geographical region, or for high or for low and middle-income countries (LMICs). Templates for LMICs rely more on survey-based indicators than administrative data. CONCLUSIONS: This is the first scoping review of templates for standardized descriptions of health systems and assessments of their performance. The implications are that (1) templates can help analyze health systems across countries while accounting for context; (2) template-guided analyses of health systems could underpin national health policies, strategies, and plans; (3) organizations developing templates could learn from approaches of other templates; and (4) more research is needed on how to improve templates to better achieve their goals. Our findings provide an overview and help identify the most important aspects and topics to look at when comparing and analyzing health systems, and how data are commonly presented. The templates were created by organizations with different agendas and target audiences, and with different end products in mind. Comprehensive health systems analyses and comparisons require production of quantitative indicators and complementing them with qualitative information to build a holistic picture. CLINICAL TRIAL REGISTRATION:   Not applicable.


Subject(s)
Delivery of Health Care , Humans , Healthcare Financing , World Health Organization
7.
Brain Struct Funct ; 2024 Jul 16.
Article in English | MEDLINE | ID: mdl-39012481

ABSTRACT

The reason(s) for why a complete duplication of the left hemisphere Heschl's gyrus (HG) has been observed in people with reading disability are unclear. This study was designed to replicate and advance understanding of the HG and phonological decoding association, as well as test competing hypotheses that this HG duplication association is specifically localized to the HG or could be due to co-occurring atypical development of other brain regions that support reading and language development. Participants were selected on the basis of having a duplicated left hemisphere HG (N = 96) or a single HG (N = 96) and matched according to age, sex, and research site in this multi-site study. Duplicated and single HG morphology specific templates were created to determine the extent to which HG sizes were related to phonological decoding within each HG morphology group. The duplicated HG group had significantly lower phonological decoding (F = 4.48, p = 0.04) but not verbal IQ (F = 1.39, p = 0.41) compared to the single HG group. In addition, larger HG were significantly associated with lower phonological decoding in the duplicated HG group, with effects driven by the size of the lateral HG after controlling for age, sex, research site, and handedness (ps < 0.05). Brain regions that exhibited structural covariance with HG did not clearly explain the HG and phonological decoding associations. Together, the results suggest that presence of a duplicated HG indicates some risk for lower phonological decoding ability compared to verbal IQ, but the reason(s) for this association remain unclear.

8.
Heliyon ; 10(11): e32394, 2024 Jun 15.
Article in English | MEDLINE | ID: mdl-38947481

ABSTRACT

Objective: Percutaneous nephrolithotomy (PCNL) is the main method for pyonephrosis or lithotripsy in urology. However, it often comes with high risk, as the inaccurate puncture inevitably causes bleeding, intra- and post-operative complications. So, a new inter-disciplinary approach is needed to perform the puncture more accurately. Methods: 3 signs made of lead were marked onto the skin of the posterior side of the waist of a domestic pig or a patient, which was scanned by computed tomography (CT). Based on the CT images, the computer design and the 3D printing, a navigation template made of the transparent resin material is constructed. They were attached onto the surgical area on pig or patient according to the signs. During the PCNL, with this template, the puncture position, angle and depth were optimized in order to precisely enter the targeted renal pelvis or calices. Results: With the 3D navigation templates, 18G puncture needles were used to enter the renal pelvis upon performing the PCNL on a porcine model and a patient. On the porcine model, the urine outflow was observed with minimal complication. Post-operative CT scans revealed that the needle was located in the renal pelvis. For the patient case, the puncture point was designed to target the calix with stone. No obvious bleeding and complication was found in renal puncture with template. Conclusions: The navigation template was made with the combination of 3D printing, CT images and computer design. This template allows for accurate puncture of the renal pelvis or calix. Surgical improvement in kidney stones and pyonephrosis was observed in porcine model and patient case. In the future, prospective, trandomized, controlled clinical trials are needed to further confirm its advantage.

9.
Materials (Basel) ; 17(13)2024 Jun 24.
Article in English | MEDLINE | ID: mdl-38998173

ABSTRACT

The development in the field of nanomaterials has resulted in the synthesis of various structures. Depending on their final applications, the desired composition and therefore alternate properties can be achieved. In electrochemistry, the fabrication of bulk films characterized by high catalytic performance is well-studied in the literature. However, decreasing the scale of materials to the nanoscale significantly increases the active surface area, which is crucial in electrocatalysis. In this work, a special focus is placed on the electrodeposition of nanocones and their application as catalysts in hydrogen evolution reactions. The main paths for their synthesis concern deposition into the templates and from electrolytes containing an addition of crystal modifier that are directly deposited on the substrate. Additionally, the fabrication of cones using other methods and their applications are briefly reviewed.

10.
Appl Microbiol Biotechnol ; 108(1): 416, 2024 Jul 12.
Article in English | MEDLINE | ID: mdl-38995331

ABSTRACT

A large number of recombinant plasmids for the yeast Saccharomyces cerevisiae have been constructed and accumulated over the past four decades. It is desirable to apply the recombinant plasmid resources to Saccharomyces sensu stricto species group, which contains an increasing number of natural isolate and industrial strains. The application to the group encounters a difficulty. Natural isolates and industrial strains are exclusively prototrophic and polyploid, whereas direct application of most conventional plasmid resources imposes a prerequisite in host yeast strains of an auxotrophic mutation (i.e., leu2) that is rescued by a selection gene (e.g., LEU2) on the recombinant plasmids. To solve the difficulty, we aimed to generate leu2 mutants from yeast strains belonging to the yeast Saccharomyces sensu stricto species group by DNA editing. First, we modified an all-in-one type CRISPR-Cas9 plasmid pML104 by adding an antibiotic-resistance gene and designing guide sequences to target the LEU2 gene and to enable wide application in this yeast group. Then, the resulting CRISPR-Cas9 plasmids were exploited to seven strains belonging to five species of the group, including natural isolate, industrial, and allopolyploid strains. Colonies having the designed mutations in the gene appeared successfully by introducing the plasmids and assisting oligonucleotides to the strains. Most of the plasmids and resultant leu2- mutants produced in this study will be deposited in several repository organizations. KEY POINTS: • All-in-one type CRISPR-Cas9 plasmids targeting LEU2 gene were designed for broad application to Saccharomyces sensu stricto group species strains • Application of the plasmids generated leu2 mutants from strains including natural isolates, industrial, and allopolyploid strains • The easy conversion to leu2 mutants permits free access to recombinant plasmids having a LEU2 gene.


Subject(s)
CRISPR-Cas Systems , Gene Editing , Mutation , Plasmids , Polyploidy , Plasmids/genetics , Gene Editing/methods , Saccharomyces cerevisiae Proteins/genetics , Saccharomyces/genetics , Saccharomyces cerevisiae/genetics , 3-Isopropylmalate Dehydrogenase/genetics , 3-Isopropylmalate Dehydrogenase/metabolism , Genome, Fungal/genetics
11.
Support Care Cancer ; 32(8): 500, 2024 Jul 10.
Article in English | MEDLINE | ID: mdl-38985388

ABSTRACT

PURPOSE: Within families affected by parental cancer, open communication impacts the well-being of parents and their children; however, limited research exists on communication patterns in these families. This sub-study addresses this through the Family-SCOUT study, a multicenter, prospective, interventional, and non-randomized investigation with intervention (IG) and control group (CG). The purpose of this sub-study was to identify and compare the differences in communication patterns between the IG and CG as part of the process evaluation. The research question was addressed in both groups: What communication patterns do healthy parents perceive within their families? METHODS: Using a qualitative approach, the study involved interviewing healthy parents as surrogates for their families. The interviews were audio-recorded, transcribed, and coded using a template analysis. The resulting data were analyzed at the group level. RESULTS: Twenty-three interviews were conducted in the IG and 27 interviews in the CG. The analysis of themes centered on communication patterns as seen in the family structure. Both groups exhibited instances of open communication about fears and wishes as well as the use of child-friendly language when discussing cancer. Notable differences were observed: challenges in open communication with children were sorely reported in CG interviews, and "the illness is discussed when necessary" was sorely described in IG interviews. CONCLUSION: This study underscores the need to address and encourage open communication within families with parental cancer.


Subject(s)
Communication , Neoplasms , Parents , Humans , Neoplasms/psychology , Female , Male , Parents/psychology , Adult , Prospective Studies , Child , Middle Aged , Qualitative Research , Interviews as Topic , Child of Impaired Parents/psychology
12.
Psychiatry Investig ; 21(6): 664-671, 2024 Jun.
Article in English | MEDLINE | ID: mdl-38960444

ABSTRACT

OBJECTIVE: Spatial normalization is an essential process for comparative analyses that heavily depends on the standard brain template used. Brain morphological differences are observed in different populations due to genetic and environmental factors, causing mismatches in regions when the data are normalized to different population templates. Recent studies have indicated differences between Caucasian and East Asian populations as well as within East Asian populations, suggesting the necessity of population-specific brain templates. Thus, this study aimed to construct a Korean young adult age-specific brain template utilizing an advanced method of template construction to update the currently available Korean template. METHODS: The KOR152 template was constructed via affine and nonlinear iterative procedures based on prior studies. We compared the morphological features of different population templates (MNI152, Indian_157, and CN200). The distance and volumetric changes before and after registering the data to these templates were calculated for registration accuracy. RESULTS: The KOR152 global brain features revealed a shorter overall length than the other population templates. The registration accuracy by distance and volumetric change was significantly lower than that of the other population templates, implying that the KOR152 was more accurate than other templates for the young adult Korean population. CONCLUSION: This study provided evidence for the need for a population-specific template that may be more appropriate for structural and functional studies in Korean populations.

13.
J Chromatogr A ; 1730: 465130, 2024 Jun 29.
Article in English | MEDLINE | ID: mdl-38955130

ABSTRACT

This study describes the preparation of a cylindrical polymer foam column termed Chitosan/ß-Cyclodextrin/MIL-68(Al) (CS/ß-CD/MIL-68(Al)). An ice template-freeze drying technique was employed to prepare the CS/ß-CD/MIL-68(Al) foam column by embedding MIL-68(Al) in a polymer matrix comprising cross-linked chitosan (CS) and ß-cyclodextrin (ß-CD). The cylindrical CS/ß-CD/MIL-68(Al) foam was subsequently inserted into a syringe to develop a solid phase extraction (SPE) device. Without the requirement for an external force, the sample solution passed easily through the SPE column thanks to the porous structure of the CS/ß-CD/MIL-68(Al) foam column. Moreover, the CS/ß-CD/MIL-68(Al) foam column was thought to be a superior absorbent for SPE since it included the adsorptive benefits of CS, ß-CD, and MIL-68(Al). The SPE was utilized in conjunction with high-performance liquid chromatography to analyze six sulfonamides found in milk, urine, and water. With matrix effects ranging from 80.49 % to 104.9 % with RSD values of 0.4-14.0 %, the method showed high recoveries ranging from 80.6 to 107.4 % for water samples, 93.4-105.2 % for urine, and 87.4-100.9 % for milk. It also demonstrated good linearity in the range of 10-258 ng·mL-1 with the limits of detection ranging from 1.88 to 2.58 ng·mL-1. The cylindrical CS/ß-CD/MIL-68(Al) foam column prepared in this work offered several advantages, including its simple fabrication, excellent water stability, absence of pollutants, biodegradability, and reusability. It is particularly well-suited for SPE. Furthermore, the developed SPE method, employing CS/ß-CD/MIL-68(Al) foam column, is straightforward and precise, and its benefits, including affordability, ease of preparation, lack of specialized equipment, and solvent economy, underline its broad applicability for the pretreatment of aqueous samples.

14.
Brachytherapy ; 2024 Jul 02.
Article in English | MEDLINE | ID: mdl-38960768

ABSTRACT

BACKGROUND AND PURPOSE: 3D-printed templates are used in intracavitary/interstitial brachytherapy (3DP-IC/IS) for locally advanced cervical cancer (LACC). We applied failure mode and effects analysis (FMEA) twice in one year to improve 3DP-IC/IS safety. MATERIALS AND METHODS: A risk assessment group was established. We created a process map for 3DP-IC/IS procedures, identifying potential failure modes (FMs) and evaluating occurrence (O), detectability (D), severity (S), and risk priority number (RPN = O*D*S). High RPN values identified high-risk FMs, and quality control (QC) methods were determined by root cause analysis. A second FMEA was performed a year later. RESULTS: The 3DP-IC/IS process included 10 main steps, 48 subprocesses, and 54 FMs. Initial RPN values ranged from 4.50 to 171.00 (median 50.50; average 52.18). Ten high-risk FMs were identified: (1) unreasonable needle track design (171.00/85.50), (2) noncoplanar needle label identification failure (126.00/64.00), (3) template model reconstruction failure (121.50/62.50), (4) improper gauze filling (112.00/60.25), (5) poor needle position (112.00/52.50). QC interventions lowered all high-risk RPN values during the second assessment. CONCLUSIONS: A feasible 3DP-IC/IS process was proposed. Staff training, automatic needle path planning, insertion guidance diagrams, template checking, system commissioning, and template design improvements effectively enhanced process safety.

15.
Methods Mol Biol ; 2780: 27-41, 2024.
Article in English | MEDLINE | ID: mdl-38987462

ABSTRACT

Docking methods can be used to predict the orientations of two or more molecules with respect of each other using a plethora of various algorithms, which can be based on the physics of interactions or can use information from databases and templates. The usability of these approaches depends on the type and size of the molecules, whose relative orientation will be estimated. The two most important limitations are (i) the computational cost of the prediction and (ii) the availability of the structural information for similar complexes. In general, if there is enough information about similar systems, knowledge-based and template-based methods can significantly reduce the computational cost while providing high accuracy of the prediction. However, if the information about the system topology and interactions between its partners is scarce, physics-based methods are more reliable or even the only choice. In this chapter, knowledge-, template-, and physics-based methods will be compared and briefly discussed providing examples of their usability with a special emphasis on physics-based protein-protein, protein-peptide, and protein-fullerene docking in the UNRES coarse-grained model.


Subject(s)
Algorithms , Molecular Docking Simulation , Proteins , Molecular Docking Simulation/methods , Proteins/chemistry , Proteins/metabolism , Protein Binding , Computational Biology/methods , Protein Conformation , Knowledge Bases , Software
16.
J Pain Res ; 17: 2347-2356, 2024.
Article in English | MEDLINE | ID: mdl-38983246

ABSTRACT

Background: Trigeminal neuralgia (TN) is a common form of craniofacial pain, and Radiofrequency thermocoagulation (RFT) has become a commonly utilized treatment modality for TN. However, the complex anatomical configuration of the maxillofacial region and the difficulties inherent in positioning the neck in a hyperextended manner can present challenges for CT-guided punctures. Aim: The objective of this study is to assess the effectiveness and safety of 3D printed tooth-supported template(3D-PTST) guided RFT in patients who have previously undergone unsuccessful CT-guided puncture. Methods: Patients with TN undergoing RFT at the Department of Pain Medicine, PLA General Hospital, from January 2018 to January 2023, were assessed. 3D-PTST guided RFT was employed as an alternative when percutaneous puncture failed. Clinical, demographic, and follow-up data were collected. The duration of the procedure was determined by subtracting the time of anesthesia administration from the time of surgical drape removal. Pain intensity was assessed using the Numerical Rating Scale-11 scale. Treatment effects were evaluated utilizing the Barrow Neurological Institute scale. Incidences of complications related to RFA were documented. Results: Six TN patients underwent 3D-PTST guided RFT. With tooth-supported template guidance, five patients achieved therapeutic target puncture in one attempt with one CT scan. One patient required two attempts with two CT scans. Operation duration ranged from 18 to 46 mins (mean 30 mins). All completed 3D-PTST-guided RFT without difficulty, significantly improving pain symptoms. Four patients had no pain recurrence at 12, 18, 36 and 37 months follow-up, respectively. Recurrence occurred in two patients (at 1 and 13 months). No serious treatment-related complications were observed. Conclusion: 3D-PTST guided RFT is an effective, repeatable, safe, and minimally invasive treatment method for patients with TN who have failed due to difficulty in puncture.

17.
AAPS J ; 26(4): 80, 2024 Jul 12.
Article in English | MEDLINE | ID: mdl-38992280

ABSTRACT

Immunogenicity testing and characterization is an important part of understanding the immune response to administration of a protein therapeutic. Neutralizing antibody (NAb) assays are used to characterize a positive anti-drug antibody (ADA) response. Harmonization of reporting of NAb assay performance and results enables efficient communication and expedient review by industry and health authorities. Herein, a cross-industry group of NAb assay experts have harmonized NAb assay reporting recommendations and provided a bioanalytical report (BAR) submission editable template developed to facilitate agency filings. This document addresses key bioanalytical reporting gaps and provides a report structure for documenting clinical NAb assay performance and results. This publication focuses on the content and presentation of the NAb sample analysis report including essential elements such as the method, critical reagents and equipment, data analysis, study samples, and results. The interpretation of immunogenicity data, including the evaluation of the impact of NAb on safety, exposure, and efficacy, is out of scope of this publication.


Subject(s)
Antibodies, Neutralizing , Antibodies, Neutralizing/immunology , Antibodies, Neutralizing/blood , Humans
18.
J Colloid Interface Sci ; 676: 238-248, 2024 Jul 08.
Article in English | MEDLINE | ID: mdl-39029250

ABSTRACT

CoFe bimetallic organic frameworks (CoFe-MOFs) with tunable morphology and electronic structure are synthesized in situ utilizing cobalt hydroxide (Co(OH)2) as a semi-sacrificial template and different anionic iron salts as modifying factors in a non-calcined synthesis method. This work defines the impact of three different anionic metallic iron salts (FeCl3, Fe(NO3)3, and Fe2(SO4)3) on the morphology of MOF materials and their resulting oxygen evolution reaction (OER) catalytic activity. Employing ferric chloride (FeCl3) as the metallic iron source, heterostructured electrocatalysts (BN-CoFe-MOF) with nanoparticles decorated nanoneedle tips are obtained, exhibiting a low overpotential (230 mV at 10 mA cm-2) and a Tafel slope of 105.6 mV dec-1 in 1.0 M KOH. It also demonstrates long time stability for at least 50 h at a current density of 10 mA cm-2. The investigation uncovers that the splendid OER activity and stability of the BN-CoFe-MOF heterojunction can be attributed to its large specific surface area, desirable mesoporous structure, superaerophobic characteristic, and high exposure of active centers. This work not only provides an efficient and cost-effective MOF based OER electrocatalyst but also serves as a valuable reference for future research on morphology control and strategies to enhance the OER activity of MOF catalysts.

19.
Int J Implant Dent ; 10(1): 36, 2024 Jul 16.
Article in English | MEDLINE | ID: mdl-39012381

ABSTRACT

PURPOSE: This study aims to evaluate the amount of distortion using computer-guided implant surgery with 3D printed surgical guides in limited edentulous spaces. MATERIALS AND METHODS: 25 bone level self-tapping implants (Straumann® BL and BLT) were randomly inserted in either distal or intercalary posterior mandibular edentulism using a fully digital protocol and 3D printed surgical guides. Amount of inaccuracy was evaluated after superimposing the 3 coordinates of virtually planned and final implant images, which were obtained using intra-oral scans and scan bodies. Four evaluation parameters were considered: origo-displacement, error depth, apical displacement and angle between the planned and the placed implant. RESULTS: The average of distortion was 0.71 mm for the origo-displacement, 0.36 mm for the error depth, 0.52 mm for the horizontal displacement and 3.34º for the error angle. CONCLUSION: The major reason of exclusion was CBCT artifacts. Results of this study were aligned with the results of previous studies concerning partially edentulous spaces. CAD/CAM manufacturing process did not result in significant distortion whilst the biggest part of distortions originated from the surgical process. The learning curve in computer-guided implant surgery presented an important source of inaccuracy.


Subject(s)
Jaw, Edentulous, Partially , Surgery, Computer-Assisted , Humans , Surgery, Computer-Assisted/methods , Prospective Studies , Jaw, Edentulous, Partially/surgery , Jaw, Edentulous, Partially/diagnostic imaging , Dental Implantation, Endosseous/methods , Dental Implantation, Endosseous/instrumentation , Female , Male , Middle Aged , Printing, Three-Dimensional , Dental Implants , Cone-Beam Computed Tomography
20.
ACS Nano ; 18(29): 19150-19160, 2024 Jul 23.
Article in English | MEDLINE | ID: mdl-39001859

ABSTRACT

Soft gels with spatially defined mesoscale distributions of chemical activity that guide and accelerate reactions by chemical nanoconfinement are found ubiquitously in nature but are rare in artificial systems. In this study, we introduce chemically nanostructured bulk organogels with periodically ordered morphologies from self-assembled block copolymer monoliths with a single selectively cross-linked block (xBCP). Ordered bulk organogels are fabricated with various distinct morphologies including hexagonally packed cylinders and two gyroidal three-dimensionally periodic network structures that exhibit macroscopic and nanoscopic structural integrity upon swelling. Small-angle X-ray scattering and transmission electron microscopy confirm that the periodic arrangement of the chemically distinct blocks in the self-assembled xBCP is retained at polymer fractions as low as 15 vol %. Our results reveal that the swelling equilibrium is not exclusively determined by the cross-linked block despite its structural role but is strongly influenced by the weighted interactions between solvent and the individual nanophases, including the non-cross-linked blocks. Therefore, substantial swelling can be obtained even for solvents that the cross-linked block itself has unfavorable interactions with. Since these ordered organogels present a class of solvent-laden bulk materials that exhibit chemically distinct nanoenvironments on a periodic mesoscale lattice, we demonstrate their use for selective infusion templating (SIT) in a proof-of-concept nanoconfined synthesis of poly(acrylonitrile) from which a monolithic ordered gyroidal mesoporous carbon is obtained. Going forward, we envision using xBCP gels and SIT to enable the fabrication of traditionally hard-to-template materials as periodically nanostructured monoliths due to the extensive tunability in their physicochemical parameter space.

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