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1.
Anal Chem ; 2024 Jun 11.
Artigo em Inglês | MEDLINE | ID: mdl-38862388

RESUMO

The diversity of cannabinoid isomers and complexity of Cannabis products pose significant challenges for analytical methodologies. In this study, we developed a method to analyze 14 different cannabinoid isomers in diverse samples within milliseconds by leveraging the unique adduct-forming behavior of silver ions in advanced cyclic ion mobility spectrometry-mass spectrometry. The developed method achieved the separation of isomers from four groups of cannabinoids: Δ3-tetrahydrocannabinol (THC) (1), Δ8-THC (2), Δ9-THC (3), cannabidiol (CBD) (4), Δ8-iso-THC (5), and Δ(4)8-iso-THC (6) (all MW = 314); 9α-hydroxyhexahydrocannabinol (7), 9ß-hydroxyhexahydrocannabinol (8), and 8-hydroxy-iso-THC (9) (all MW = 332); tetrahydrocannabinolic acid (THCA) (10) and cannabidiolic acid (CBDA) (11) (both MW = 358); Δ8-tetrahydrocannabivarin (THCV) (12), Δ8-iso-THCV (13), and Δ9-THCV (14) (all MW = 286). Moreover, experimental and theoretical traveling wave collision cross section values in nitrogen (TWCCSN2) of cannabinoid-Ag(I) species were obtained for the first time with an average error between experimental and theoretical values of 2.6%. Furthermore, a workflow for the identification of cannabinoid isomers in Cannabis and Cannabis-derived samples was established based on three identification steps (m/z and isotope pattern of Ag(I) adducts, TWCCSN2, and MS/MS fragments). Afterward, calibration curves of three major cannabinoids were established with a linear range of 1-250 ng·ml-1 for Δ8-THC (2) (R2 = 0.9999), 0.1-25 ng·ml-1 for Δ9-THC (3) (R2 = 0.9987), and 0.04-10 ng·ml-1 for CBD (4) (R2 = 0.9986) as well as very low limits of detection (0.008-0.2 ng·ml-1). Finally, relative quantification of Δ8-THC (2), Δ9-THC (3), and CBD (4) in eight complex acid-treated CBD mixtures was achieved without chromatographic separation. The results showed good correspondence (R2 = 0.999) with those obtained by gas chromatography-flame ionization detection/mass spectrometry.

2.
J Am Chem Soc ; 146(15): 10550-10558, 2024 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-38584353

RESUMO

Implementing the synergistic effects between the metal and the ligand has successfully streamlined the energetics for CO2 activation and gained high catalytic activities, establishing the important breakthroughs in photocatalytic CO2 reduction. Herein, we describe a Ni(II) N-confused porphyrin complex (NiNCP) featuring an acidic N-H group. It is readily deprotonated and exists in an anion form during catalysis. Owing to this functional site, NiNCP gave rise to an outstanding turnover number (TON) as high as 217,000 with a 98% selectivity for CO2 reduction to CO, while the parent Ni(II) porphyrin (NiTPP) was found to be nearly inactive. Our mechanistic analysis revealed a nonclassical reaction pattern where CO2 was effectively activated via the attack of the Lewis-basic ligand. The resulting ligand-bound CO2 adduct could be further reduced to produce CO. This new metal-ligand synergistic effect is anticipated to inspire the design of highly active catalysts for small molecule activations.

3.
Angew Chem Int Ed Engl ; 61(36): e202207456, 2022 09 05.
Artigo em Inglês | MEDLINE | ID: mdl-35819248

RESUMO

The products of the SuFEx reaction between sulfonimidoyl fluorides and phenols, sulfonimidates, are shown to display dynamic covalent chemistry with other phenols. This reaction was shown to be enantiospecific, finished in minutes at room temperature in high yields, and useful for both asymmetric synthesis and sustainable polymer production. Its wide scope further extends the usefulness of SuFEx and related click chemistries.


Assuntos
Polímeros , Enxofre , Química Click , Estrutura Molecular , Fenóis
4.
Front Comput Sci ; 42022 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37692198

RESUMO

Objects and object complexes in 3D, as well as those in 2D, have many possible representations. Among them skeletal representations have special advantages and some limitations. For the special form of skeletal representation called "s-reps," these advantages include strong suitability for representing slabular object populations and statistical applications on these populations. Accomplishing these statistical applications is best if one recognizes that s-reps live on a curved shape space. Here we will lay out the definition of s-reps, their advantages and limitations, their mathematical properties, methods for fitting s-reps to single- and multi-object boundaries, methods for measuring the statistics of these object and multi-object representations, and examples of such applications involving statistics. While the basic theory, ideas, and programs for the methods are described in this paper and while many applications with evaluations have been produced, there remain many interesting open opportunities for research on comparisons to other shape representations, new areas of application and further methodological developments, many of which are explicitly discussed here.

5.
Cancer Cell Int ; 21(1): 318, 2021 Jun 24.
Artigo em Inglês | MEDLINE | ID: mdl-34167552

RESUMO

The study describes the current state of knowledge on nanotechnology and its utilization in medicine. The focus in this manuscript was on the properties, usage safety, and potentially valuable applications of chitosan-based nanomaterials. Chitosan nanoparticles have high importance in nanomedicine, biomedical engineering, discovery and development of new drugs. The manuscript reviewed the new studies regarding the use of chitosan-based nanoparticles for creating new release systems with improved bioavailability, increased specificity and sensitivity, and reduced pharmacological toxicity of drugs. Nowadays, effective cancer treatment is a global problem, and recent advances in nanomedicine are of great importance. Special attention was put on the application of chitosan nanoparticles in developing new system for anticancer drug delivery. Pre-clinical and clinical studies support the use of chitosan-based nanoparticles in nanomedicine. This manuscript overviews the last progresses regarding the utilization, stability, and bioavailability of drug nanoencapsulation with chitosan and their safety.

6.
J Conserv Dent ; 18(4): 288-91, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-26180412

RESUMO

AIM: The aim of this in vivo study was to compare the accuracy of Root ZX and Raypex 5 in detecting minor diameter in human permanent single-rooted teeth. MATERIALS AND METHODS: Thirty-one patients with completely formed single-rooted permanent teeth indicated for extraction were selected for the study. Crown was flattened for stable reference point and access cavity prepared. Working length was determined with both apex locators. A 15 K file adjusted to that reading was placed in the root canal and stabilized with cement. The tooth was then extracted atraumatically. Following extraction apical 4 mm of root was shaved. The position of the minor diameter in relation to the anatomic apex was recorded for each tooth under stereomicroscope at ×10. The efficiency of two electronic apex locators to determine the minor diameter was statistically analyzed using paired sample t-test. RESULTS: The minor diameter was located within the limits of ±0.5 mm in 96.6% of the samples with the Root ZX and 93.2% of the samples with Raypex 5. The paired sample t-test showed no significant difference. CONCLUSION: On analyzing the results of our study it can be concluded that Raypex 5 was as effective as Root ZX in determining the minor diameter.

7.
J Contemp Dent Pract ; 14(3): 440-4, 2013 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-24171986

RESUMO

AIM: To evaluate and compare the efficacy, cleaning ability of hand and two rotary systems in root canal retreatment. METHODOLOGY: Sixty extracted premolars were retreated with following systems: Group -ProTaper Universal retreatment files, Group 2-ProFile system, Group 3-H-file. Specimens were split longitudinally and amount of remaining gutta-percha on the canal walls was assessed using direct visual scoring with the aid of stereomicroscope. Results were statistically analyzed using ANOVA test. RESULTS: Completely clean root canal walls were not achieved with any of the techniques investigated. However, all three systems proved to be effective for gutta-percha removal. Significant difference was found between ProTaper universal retreatment file and H-file, and also between ProFile and H-file. CONCLUSION: Under the conditions of the present study, ProTaper Universal retreatment files left significantly less guttapercha and sealer than ProFile and H-file. CLINICAL SIGNIFICANCE: Rotary systems in combination with gutta-percha solvents can perform superiorly as compared to the time tested traditional hand instrumentation in root canal retreatment.


Assuntos
Preparo de Canal Radicular/normas , Dente Pré-Molar/patologia , Cicloexanóis/uso terapêutico , Cavidade Pulpar/patologia , Desenho de Equipamento , Eucaliptol , Eucalyptus , Guta-Percha/química , Humanos , Monoterpenos/uso terapêutico , Retratamento , Materiais Restauradores do Canal Radicular/química , Preparo de Canal Radicular/instrumentação , Solventes/uso terapêutico , Propriedades de Superfície , Fatores de Tempo , Ápice Dentário/patologia , Dente não Vital/terapia , Resultado do Tratamento
8.
Case Rep Dent ; 2012: 756526, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-23198166

RESUMO

Coronal fractures of permanent dentition are the most frequent type of dental injury. Fractured anterior teeth are usually treated with conventional post and core and crown techniques, after being treated endodontically. If the original tooth fragment is retained following fracture, the natural tooth structures can be reattached using adhesive protocols. Fiber-reinforced post makes the reattachment of the crown esthetically possible with minimal preparation and reduces the possibility of tooth fracture during function. This paper presents the therapeutic approach of reattachment of crown fragment to the tooth at the cervical and middle third levels.

9.
Case Rep Dent ; 2012: 902858, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-23119189

RESUMO

Introduction. This paper describes a case of bone augmentation with combination of Platelet-Rich Fibrin (PRF) and ß-TCP for treatment of chronic periapical cyst. The case was followed for 12 months. Methods. Patient presented with chronic periapical lesion in maxillary anterior teeth with history of trauma 8 years back. Radiographically, a periapical cyst was seen in relation to maxillary left central and lateral incisors. Conventional endodontic treatment was started. Since it was not successful, apical surgery was performed. Bone augmentation was done using PRF in combination with ß-TCP bone graft to achieve faster healing of the periapical region. Regular followups at 3, 6, 9, and 12 months were done. Results. Healing was uneventful. Follow-up examinations revealed progressive, significant, and predictable clinical and radiographic bone regeneration/healing without any clinical symptoms. Conclusions. Combined use of PRF and ß-TCP for bone augmentation in treatment of periapical defects is a potential treatment alternative for faster healing than using these biomaterials alone.

10.
Case Rep Dent ; 2012: 892652, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-23082257

RESUMO

Varieties of objects have been introduced into the root canal system accidentally or intentionally; removal of these objects necessitates the success of the treatment. This paper explains an unusual bur fracture during nonsurgical endodontic treatment and its removal by ultrasonic energy with ease and without the removal of extra large amount of root dentin.

11.
BMJ Case Rep ; 20112011 Aug 31.
Artigo em Inglês | MEDLINE | ID: mdl-22679052

RESUMO

When gag reflex becomes abnormally active, it poses difficulty for the prosthodontists, as it hinders the process of fixed partial denture construction beginning with tooth preparation till impression making. In this case-report, the authors used a nerve block technique which is popular among anaesthetist and otolaryngologist, but is being applied in the field of prosthodontics for the first time, to tide over the difficulty.


Assuntos
Prótese Parcial Fixa , Engasgo/prevenção & controle , Nervo Glossofaríngeo/fisiologia , Bloqueio Nervoso/métodos , Adulto , Engasgo/fisiologia , Humanos , Masculino
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