Toxicity of anthraquinone derivatives in relation to non-linear optical properties and electron correlation.

1,4-Dialkylamino -5,8-dihydroxy anthraquinones are investigated using density functional theory (DFT) and time-dependent DFT (TD-DFT) for their growth inhibitory potential. The frontier molecular orbital shows that the electron density is located at the anthraquinone core and at the substituents NH and OH in both HOMO as well as in LUMO. The chemical potential and electrophilicity index showed a direct relation, while hardness and hyperhardness had an inverse association with an energy gap.

A New Technique for Creation of Femoral Vein Monocusp Neovalve for Patients With Primary Deep Vein Incompetence.

Methods: Monocusp valve was created by folding the vein wall flap so that both sides of the valve will have intimal surface.

Result: Patient had excellent symptomatic improvement. The venous ulcer healed with skin grafting and had not recurred at 30 months follow up.

Cyclic stretch enhances neutrophil extracellular trap formation.

Background: Neutrophils, the most abundant leukocytes circulating in blood, contribute to host defense and play a significant role in chronic inflammatory disorders. They can release their DNA in the form of extracellular traps (NETs), which serve as scaffolds for capturing bacteria and various blood cells. However, uncontrolled formation of NETs (NETosis) can lead to excessive activation of coagulation pathways and thrombosis.

Novel emissive styryl dyes from 9-methoxy anthracene: Synthesis, photophysical, thermal stability, viscosity, and DFT study.

Novel styryl colorants based on anchoring methoxy with anthracene as a donor linked with various active methylene acceptor groups to derive a conjugated π-system along with push-pull geometry were synthesized and well characterized. Photophysical properties were studied in different polarity solvents. The impact of solvent polarizability is delivered in redshifts in absorption and emission spectra, in addition to enhancing the quantum yield.

Enhanced quantum efficiency of dicyano BODIPYs over difluoro BODIPYs: A DFT approach.

The modified BODIPY (pyrromethene) dyes with cyano (-CN), substituting usual fluorine (-F), at the 4-position may give enhanced photochemical stability and quantum yield of fluorescence (QYF) when compared to the corresponding fluoro derivative. We have investigated and discussed comparatively the structural parameters of the ground (S) and excited (S) state geometries of a few widely used BODIPY dyes, both 4-cyano and 4-fluoro pyrromethene (PM), through DFT and TD-DFT studies and established the reasons for improved QYF of the cyano derivatives. The electrophilicity index indicates the stability of the excited geometry of the cyanated BODIPY and the calculated transition dipole moments reveal a longer lifetime of the excited state (S) for the cyano BODIPY.

Exploration of 4-substituted thiophene-based azo dyes for dye-sensitized solar cells and non-linear optical materials: synthesis and an approach.

This work examines the effects of changing the secondary donors' donating strengths at the thiophene ring's fourth position in a range of dyes designated SR1 to SR9. The DFT results indicate that the molecular planarity is greatly affected by the placement of the secondary donor at position four, which changes the charge transfer (CT) characteristics in the thiophene-azo-salicylic acid backbone. These results are corroborated by TD-DFT analysis, which indicates that as the secondary donor's donating strength increases, so does the vertical absorption maximum.

Effect of spirocyclization of xanthene dyes on linear and nonlinear optical properties by considering D-π-A and D-A-D Systems: DFT and TD-DFT approach.

Spirocyclization, a unique feature of xanthene dyes, makes it a promising candidate for developing fluorescent ratiometric probes for sensing, imaging, tracking, and labeling. How will this feature of xanthene dyes influence the linear and nonlinear optical properties? To examine the effect of spirocyclization of xanthene dyes, we have selected both the open-close form of rhodamine B and π-extended xanthene dyes substituted with thienyl and thieno[3,2-b]thienyl group at position 3 and 6. Here, rhodamine B will serve as the (Donor)D-π-A(Acceptor) system and thiophene-substituted xanthene dyes will serve as the D-A-D system.

Comparison and estimation of photoneutron dose produce between 10 MV flattened and unflattened beam in Elekta Versa HD™ medical linac.

Background: In a high-energy medical linear accelerator (linac), if the interaction of photon energy is higher than the neutron binding energy of high atomic material, it emits a neutron field through photonuclear (γ, n) reaction.

Aim: The current study, evaluates the photoneutron dose equivalent (PNDE) produced between the 10 MV flattened and unflattened beams as a function of field sizes in the Elekta Versa HD™ linac.

Materials And Methods: The PNDE produced from Versa linac was recorded along the patient plane using the bubble detector personal neutron dosimeter and from the measured PNDE values, the theoretical PNDE values were simulated for various field sizes using nonlinear least-squares curve-fitting as a function of a polynomial.

Successful endovascular management of coral reef aortic occlusion.

Transaortic thromboendarterectomy and bypass have been the conventional treatment for coral reef aortic occlusions but are associated with significant mortality, morbidity and reintervention rate since these patients often present with heart failure, uncontrolled hypertension and renal dysfunction. Endovascular treatment has not become popular because of fear of aortic rupture and visceral ischemia. We present our experience with endovascular management of 10 patients with coral reef aorta.

Safety, immunogenicity and efficacy of an mRNA-based COVID-19 vaccine, GLB-COV2-043, in preclinical animal models.

Several COVID-19 vaccines, some more efficacious than others, are now available and deployed, including multiple mRNA- and viral vector-based vaccines. With the focus on creating cost-effective solutions that can reach the low- and medium- income world, GreenLight Biosciences has developed an mRNA vaccine candidate, GLB-COV2-043, encoding for the full-length SARS-CoV-2 Wuhan wild-type spike protein. In pre-clinical studies in mice, GLB-COV2-043 induced robust antigen-specific binding and virus-neutralizing antibody responses targeting homologous and heterologous SARS-CoV-2 variants and a T1-biased immune response.

Bioengineered Vascular Model of Foam Cell Formation.

Foam cell formation is a complex blood vessel pathology, which is characterized by a series of events, including endothelium dysfunction, inflammation, and accumulation of immune cells underneath the blood vessel walls. Novel bioengineered models capable of recapitulating these events are required to better understand the complex pathological processes underlying the development of foam cell formation and, consequently, advanced bioengineered platforms for screening drugs. Here, we generated a microfluidic blood vessel model, incorporating a three-dimensional (3D) extracellular matrix coated with an endothelial layer.

A promising small-sized near-infrared absorbing zwitterionic dye for DSSC and NLO applications: DFT and TD-DFT approaches.

Herein we investigate three quinoid zwitterionic dye sensitizers having donor-donor (4-dimethylaniline; ZIDM), donor-acceptor (4-dimethylaniline and 4-benzoic acid; ZIMCA), and acceptor-acceptor (4-benzoic acid; ZIDCA) that can be used in dye sensitized-solar cells and non-linear optical (NLO) application through density-functional theory (DFT) and time-dependent-DFT computations. ZIDM showed better charge transfer than ZIMCA and ZIDCA, which showed similar trends in chemical potential, electrophilicity index, hardness, and hyperhardness. The higher values of open circuit voltage, light harvesting efficiency, lower binding, and adsorption energy values for the dye to bind with the TiO cluster were observed for ZIDM.

Theoretical investigation of substitution effect on the sixth and seventh positions of coumarin derivatives.

The linear and non-linear optical properties of 6-donor and 7-donor substituted coumarins were compared using density functional theory (DFT) and time-dependent-DFT (TD-DFT). Charge transfer characteristics were investigated through natural bond order analysis, frontier molecular orbital, and molecular electrostatic potential plots. TD-DFT results suggested that the 6-donor substituted coumarins (PS1, PS3, and PS5) showed red-shifted absorption than the 7-donor substituted coumarins (PS2, PS4, and PS6).

Life Cycle Assessment of River Sand and Aggregates Alternatives in Concrete.

Urbanization processes in Asia are still ongoing; thus, aggregate demand is expected to increase in following years. Even though construction and demolition waste is a source for secondary building materials in industrialized countries, it is not yet an alternative construction material source in Vietnam as the urbanization process is still ongoing. Thus, there is a need for river sand and aggregates alternatives in concrete, namely manufactured sand (m-sand) from primary solid rock materials and secondary waste materials.

EmoCodes: a Standardized Coding System for Socio-emotional Content in Complex Video Stimuli.

Unlabelled: Social information processing is vital for inferring emotional states in others, yet affective neuroscience has only begun to scratch the surface of how we represent emotional information in the brain. Most previous affective neuroscience work has used isolated stimuli such as static images of affective faces or scenes to probe affective processing. While this work has provided rich insight to the initial stages of emotion processing (encoding cues), activation to isolated stimuli provides limited insight into later phases of emotion processing such as interpretation of cues or interactions between cues and established cognitive schemas.

Evaluation of photoneutron dose equivalent in 10 MV and 15 MV beams for wedge and open fields in the Elekta Versa HD linac.

In a high-energy medical linear accelerator (linac), if the interaction of photon energy is higher than the neutron binding energy of high atomic material, it emits a neutron field through a photonuclear reaction. The objective of this current study is to measure the photoneutron dose equivalent produces in a motorized wedge field and open field of 10 MV and 15 MV photon beams in Elekta Versa HD™ linac. The PNDE values were recorded at various positions along the patient plane using the Bubble Detector-Personal Neutron Dosimeter (BD-PND).

Management of Acute Limb Ischaemia Due to COVID-19 Induced Arterial Thrombosis: A Multi-Centre Indian Experience.

To determine the outcomes following various surgical and medical treatments of Coronavirus disease 2019 (COVID-19) induced acute limb ischaemia. A retrospective study of patients presenting with COVID induced arterial ischaemia in three hospitals from Southern India during the months of May 2020 to August 2021 was undertaken. These patients were managed by either thrombectomy, primary bypass, thrombolysis, anticoagulation or primary amputation based on the stage of ischaemia and the severity of COVID.

Suprarenal Aortic Occlusion Due to Coral Reef Calcification: Successful Endovascular Management Assisted by Intravascular Lithotripsy and Visceral Protection.

Purpose: Suprarenal aortic occlusion due to coral reef calcification has been considered not suitable for endovascular therapy because of visceral artery involvement. Unfortunately, open surgical treatment also carries high morbidity and mortality. We describe here successful endovascular management of a case of suprarenal aortic occlusion due to coral reef calcification with the use of intravascular lithotripsy (IVL) and visceral protection.

A Diagnosis of Idiopathic Hypereosinophilic Syndrome With Skin Involvement in a Patient Presenting With Lymphadenopathy and Rash.

Idiopathic hypereosinophilic syndrome is a rare entity where the diagnosis is made after all the probable causes of hypereosinophilia are excluded. The characteristic organ involvement includes the heart, nervous system, lung, and gastrointestinal tract. The mainstay of treatment is corticosteroids.

Diagnosis of Multisystem Inflammatory Syndrome in Children in a Resource-Limited Center.

Multisystem inflammatory syndrome in children (MIS-C) has become a serious disease entity following the high prevalence of coronavirus disease 2019 (COVID-19) infection with the involvement of gastrointestinal organs, kidneys, heart, and lungs. When the patient presents with mucocutaneous findings such as conjunctival injection, red lips, neurocognitive symptoms, swollen hands and lymphadenopathy, it is always highly recommended to exclude multisystem inflammatory syndrome.  As it affects multiple organs, it can result in more serious consequences.

Studying the Mechanobiology of Aortic Endothelial Cells Under Cyclic Stretch Using a Modular 3D Printed System.

Here, we describe a motorized cam-driven system for the cyclic stretch of aortic endothelial cells. Our modular design allows for generating customized spatiotemporal stretch profiles by varying the profile and size of 3D printed cam and follower elements. The system is controllable, compact, inexpensive, and amenable for parallelization and long-term experiments.

Differential retention contributes to racial/ethnic disparity in U.S. academia.

Several racial and ethnic identities are widely understood to be under-represented within academia, however, actual quantification of this under-representation is surprisingly limited. Challenges include data availability, demographic inertia and identifying comparison points. We use de-aggregated data from the U.