Series expansion of a scalable Hermitian excitonic renormalization method.

Utilizing the sparsity of the electronic structure problem, fragmentation methods have been researched for decades with great success, pushing the limits of ab initio quantum chemistry ever further. Recently, this set of methods has been expanded to include a fundamentally different approach called excitonic renormalization, providing promising initial results. It builds a supersystem Hamiltonian in a second-quantized-like representation from transition-density tensors of isolated fragments, contracted with biorthogonalized molecular integrals.

5-Substituted Flavones-Another Class of Potent Triplex DNA-Specific Ligands as Antigene Enhancers.

In the field of drug development, the quest for novel compounds that bind to DNA with high affinity and specificity never ends. In the present work, we report the newest development in this field, namely, triplex DNA-specific binding ligands based on the 5-substituted flavone scaffold in our lab. Biophysical studies showed that the newly synthesized flavone derivatives (depending on the side chains) bind to triplex DNA with binding affinities better than or similar to 5-substituted 3,3',4',7-tetramethoxyflavonoids.

Evolving Treatment Strategies for Systemic Lupus Erythematosus in Clinical Practice: A Narrative Review.

Systemic lupus erythematosus (SLE) is an autoimmune disease that more commonly affects African American people, although it is seen in people of all racial backgrounds. This condition is characterized by a dysregulated immune response resulting in widespread inflammation. Clinical manifestations caused by this inflammation include arthritis, anemia, cutaneous rashes, pleuritis, and nephritis.

Deep Learning-Based Three-Dimensional Analysis Reveals Distinct Patterns of Condylar Remodelling After Orthognathic Surgery in Skeletal Class III Patients.

Objective: This retrospective study aimed to evaluate morphometric changes in mandibular condyles of patients with skeletal Class III malocclusion following two-jaw orthognathic surgery planned using virtual surgical planning (VSP) and analysed with automated three-dimensional (3D) image analysis based on deep-learning techniques.

Materials And Methods: Pre-operative (T1) and 12-18 months post-operative (T2) Cone-Beam Computed Tomography (CBCT) scans of 17 patients (mean age: 24.8 ± 3.

Impacts of hazardous noise levels on hearing loss and tinnitus in dental professionals.

Background: Hazardous noise exposure is an important health concern in many workplaces and is one of the most common work-related injuries in the United States. Dental professionals are frequently exposed to high levels of occupational noise in their daily work environment. This noise is generated by various dental handpieces such as drills, suctions, and ultrasonic scalers.

Protein Sample Preparation for Bottom-Up, Label-Free Quantitative Proteomics of Adipose Tissue.

Adipose tissue (AT) is a complex, multifunctional endocrine organ that plays a significant role in animal evolution and human disease. Profiling of the proteome, or the set of proteins produced by a cell or tissue at a given time, can be used to explore the myriad functions of adipose tissue and understand its role in health and disease. The main challenges of adipose tissue proteomics include the high lipid and low protein content of the tissue and association of many proteins with lipid droplets.

Advancing 3D dental scanning: The use of photogrammetry with light detection and ranging for edentulous arches.

Statement Of Problem: The advent of computer-aided design and computer-aided manufacturing (CAD-CAM) has necessitated the acquisition of digital scans. However, there are limitations and problems with acquiring accurate 3-dimensional (3D) casts from edentulous patients, especially in the presence of saliva.

Purpose: The purpose of this in vitro study was to develop a novel approach for obtaining 3D casts of edentulous arches by using 2-dimensional (2D) images as an alternative to traditional 3D scanners with and without light detection and ranging (LiDAR).

Genetic Manipulation of Caveolin-1 in a Transgenic Mouse Model of Aortic Root Aneurysm: Sex-Dependent Effects on Endothelial and Smooth Muscle Function.

Marfan syndrome (MFS) is a systemic connective tissue disorder stemming from mutations in the gene encoding Fibrillin-1 (Fbn1), a key extracellular matrix glycoprotein. This condition manifests with various clinical features, the most critical of which is the formation of aortic root aneurysms. Reduced nitric oxide (NO) production due to diminished endothelial nitric oxide synthase (eNOS) activity has been linked to MFS aortic aneurysm pathology.

Conformational Flexibility of the C-Terminal Region Influences Distal Active Site Residues Across the Tautomerase Superfamily.

Consisting of more than 11,000 members distributed over five families, the tautomerase superfamily (TSF) is a large collection of proteins with diverse biological functions. While much attention has been given to individual TSF enzymes, a majority remain structurally and functionally uncharacterized. Given its large size, studying a representative member of each family offers a viable approach for extracting mechanistic insights applicable to the entire superfamily.

Bacillus Calmette-Guérin (BCG) Vaccine in America and Overseas: A Narrative Review.

This narrative review examines the role of the Bacillus Calmette-Guérin (BCG) vaccine in global tuberculosis (TB) control efforts, with particular emphasis on the differences in vaccination policies between countries, such as the US, where routine BCG administration is not practiced. A significant complication of the BCG vaccine is false positive results in the tuberculin skin test (TST), often leading to misdiagnoses and unnecessary treatments. To address these issues, interferon-gamma release assays (IGRAs) have emerged as a more specific diagnostic tool that reduces false positives associated with prior BCG vaccination.

Inhibition of OATP1B1/3 Rather Than UGT1A1 May Be the Major Cause of the Bilirubin Elevation After Atazanavir Administration.

Atazanavir has been reported to increase total serum bilirubin level up to ninefold. It is widely believed that the observed total bilirubin elevation is primarily due to UGT1A1 inhibition. However, UGT enzymes are well-known as a low-affinity and high-capacity system, and the observed drug-drug interaction mediated by UGTs is usually less than twofold.

Effects of light, electromagnetic fields and water on biological rhythms.

The circadian rhythm controls a wide range of functions in the human body and is required for optimal health. Disruption of the circadian rhythm can produce inflammation and initiate or aggravate chronic diseases. The modern lifestyle involves long indoor hours under artificial lighting conditions as well as eating, working, and sleeping at irregular times, which can disrupt the circadian rhythm and lead to poor health outcomes.

Kratom: A Narrative Review of the Possible Clinical Uses and Dangers of This Opioid-Like Plant.

The term "kratom" refers to a plant species formally known as  Kratom is composed of over 40 alkaloids, a type of organic compound that contains nitrogen. These compounds work primarily via binding to opioid receptors expressed on neurons, where they stimulate signal transduction mechanisms involving the activation of G proteins. Kratom has been shown to cause both a stimulant-like effect and a sedative effect in humans.

Bridging from research evidence to treatment decisions: The case of treatment based on predicted mandibular growth.

Introduction: Norms for mandibular growth are well-established, but they have large variances, and no research has been conducted on how practitioners use them in clinical judgment to guide the treatment of individual patients.

Methods: Co-Pog projections of mandibular growth were combined from the Burlington and Michigan growth studies following statistical adjustments. Cervical measures were also evaluated.

Ageism and Ableism in Individuals Aging with Intellectual and Developmental Disabilities.

Biomedical and structural factors impact oral health for people with intellectual and developmental disabilities (IDD). The onset of age prevalent chronic diseases and conditions can result in new cognitive or physical disabilities leaving individuals with IDD to contend with ageism as well as ableism and further exclusion from the oral health care systems. Environments and attitudes that inform how health care systems are built and maintained significantly impact quality of life and outcomes, more than the fact of being disabled or old.

Investigation of Trimethylenemethane Cyclopentyl-Annulations as a Strategy to Obtain a Functionalized Angular Triquinane Skeleton.

The angular triquinane carbocyclic ring system is a component of many natural products found in numerous terrestrial and marine plants. A strategy for the synthesis of functionalized angular triquinanes utilizing two trimethylenemethane (TMM)-based [3+2] cycloaddition reactions is presented. This synthetic strategy employs the intermolecular dyil-trapping reaction to give eventual access to the bicyclo[3.

SERCA Modulators Reveal Distinct Signaling and Functional Roles of T Lymphocyte Ca Stores.

The allosteric SERCA (Sarcoplasmic/Endoplasmic Reticulum Ca-ATPase) activator CDN1163 has been recently added to the group of pharmacological tools for probing SERCA function. We chose to investigate the effects of the compound on T lymphocyte Ca stores, using the well-described Jurkat T lymphocyte as a reliable cell system for Ca signaling pathways. Our study identified the lowest concentrations of the SERCA inhibitors thapsigargin (TG) and 2,5-di-( butyl)-1,4-benzohydroquinone (tBHQ) capable of releasing Ca, permitting the differentiation of the TG-sensitive SERCA 2b Ca store from the tBHQ-sensitive SERCA 3 Ca store.

Preliminary study of environmental risk and protective factors during pregnancy for cleft lip with or without palate in the Korean population.

Objective: To investigate which types of environmental exposure during pregnancy are risk and protective factors for cleft lip with or without cleft palate (CL/P).

Methods: This case-control study included 278 orthodontic patients with CL/P (CL/P group) and 51 without CL/P (non-CL/P group). Demographic and environmental exposure data were collected using questionnaires completed by the parents.

Sublingual permeability of model drugs in New Zealand White Rabbits: In Vitro-In vivo correlation.

This study investigated sublingual drug permeation and administration using five model drugs with diverse physicochemical properties, employing New Zealand White Rabbit sublingual mucosa for in vitro experiments and New Zealand White Rabbits for in vivo studies. The research aimed to determine key permeation parameters, specifically permeability and lag time. A strong linear correlation (r = 0.

Correspondence between preference for and efficacy of behavioral interventions: A systematic review.

Understanding of the correspondence between intervention preference and efficacy is limited. We systematically reviewed 112 articles (457 cases) evaluating efficacy of and preference for behavioral interventions. We analyzed the percentage of cases for whom interventions were preferred and efficacious across broad (e.