N Dissociation vs Reversible 1,2-Methyl Migration in PCP Cobalt(I) Complexes in the Stereoselective Isomerization () of Allyl Ethers.

With growing efforts pushing toward sustainable catalysis, using earth-abundant metals has become increasingly important. Here, we present the first examples of cobalt PCP pincer complexes that demonstrate dual stereoselectivity for allyl ether isomerization. While the cationic cobalt complex [((PCP)Co)-μ-N][BAr ] () mainly favors the -isomer of the enol ether, the corresponding methyl complex [(PCP)CoMe] () mostly gives the -isomer.

Direct observation of arene⋯sulphur dioxide interaction: role of metal ions in electronic modulation for binding and activation.

In the quest to understand biologically relevant interactions of environmentally detrimental SO with host molecules to modulate the electronic properties of the binding sites, we have directly observed the lone pair⋯π interaction between the aromatic ring and nucleophilic O of SO (3.11 Å), for the first time to the best of our knowledge, in addition to the interaction between electrophilic S of SO and metal-bound thiolate (2.63 Å).

Exploring extended reality for diabetes education & self-management - A bibliometric analysis from 1999 to 2023.

Background: Diabetes Mellitus (DM) has emerged as a rapidly growing non-communicable disease (NCD) across developed & developing countries. People with diabetes mellitus experience health implications. They develop associated microvascular complications such as neuropathy, nephropathy & retinopathy and macro-vascular complications like coronary artery disease, stroke, amputations etc.

Application of digital technology in rehabilitation of total knee arthroplasty: A systematic review.

Purpose: Total Knee Arthroplasty (TKA) aids in reducing pain and improving knee mobility, function, and quality of life in osteoarthritis knee (OA Knee). Techology-based rehabiliation has proved to be promising post-TKA. The objective of this systematic review was to summarize the digital technology after TKA.

A Neutral PCP Co(I)-Me Pincer Complex as a Catalyst for -Allylic Isomerization with a Broad Substrate Scope.

Earth-abundant-metal catalyzed double bond transposition offers a sustainable and atom-economical route toward the synthesis of internal alkenes. With an emphasis specifically on internal olefins and ethers, the isomerization of allylic amines has been particularly under represented in the literature. Herein, we report an efficient methodology for the selective isomerization of -allylic organic compounds, including amines, amides, and imines.

Late-stage Ligand Modification After Coordination Strengthens Stereoselectively Self-Assembled Hemiaminal Ether Complexes.

Fragile hemiaminal ether linkages present in the backbone of koneramines (L OR'), tridentate ligands, bound to copper(II) in stereoselectively self-assembled syn-[Cu(L OR')X ] complexes were transformed into sturdy methylene linkages to make corresponding rac-[Cu(L H)Cl ] complexes by late-stage ligand modification after coordination with the retention of coordination sphere. The generality of stereoselective self-assembly of koneramine complexes is shown by utilising a number of metal ions, anions, amines, alcohols and thiols with complete characterisations.

Triazine based eccentric Piedfort units towards a single source hydrogen bonded network.

Herein we report a hydrogen-bonded three-dimensional network originating from a single source precursor, -triisopropylaminotriazine, that is both a donor and an acceptor of hydrogen bonds. The symmetric design allowed the formation of intermolecular hydrogen bonds leading to helices in all three directions. The eccentric Piedfort units present in the framework with a distance of 8.

Training of Deep Learning Pipelines on Memory-Constrained GPUs via Segmented Fused-Tiled Execution.

Training models with massive inputs is a significant challenge in the development of Deep Learning pipelines to process very large digital image datasets as required by Whole Slide Imaging (WSI) in computational pathology and analysis of brain fMRI images in computational neuroscience. Graphics Processing Units (GPUs) represent the primary workhorse in training and inference of Deep Learning models. In order to use GPUs to run inference or training on a neural network pipeline, state-of-the-art machine learning frameworks like PyTorch and TensorFlow currently require that the collective memory on the GPUs must be larger than the size of the activations at any stage in the pipeline.

Applications of Healthcare Robots in Combating the COVID-19 Pandemic.

Due to the increasing number of COVID-19 cases, there is a remarkable demand for robots, especially in the clinical sector. SARS-CoV-2 mainly propagates due to close human interactions and contaminated surfaces, and hence, maintaining social distancing has become a mandatory preventive measure. This generates the need to treat patients with minimal doctor-patient interaction.

Effects of Renal Impairment on the Pharmacokinetics of Abrocitinib and Its Metabolites.

Abrocitinib, an oral once-daily Janus kinase 1 selective inhibitor, is under development for the treatment of atopic dermatitis. This phase 1, nonrandomized, open-label, single-dose study (NCT03660241) investigated the effect of renal impairment on the pharmacokinetics, safety, and tolerability of abrocitinib and its metabolites following a 200-mg oral dose. Twenty-three subjects with varying degrees of renal function (normal, moderate, and severe impairment) were enrolled.

Central residues of FSHβ (89-97) peptide are not critical for FSHR binding: Implications for peptidomimetic design.

In our previous study, we had identified a 9-mer peptide (FSHβ (89-97)) derived from seat belt loop of human FSHβ and demonstrated its ability to function as FSHR antagonist in vivo. Structure analysis revealed that the four central residues STDC within this peptide may not be critical for receptor binding. In the present study, STDC residues were substituted with alanine to generate ΔFSHβ 89-97(STDC/AAAA) peptide.

Structural basis for stabilization of human telomeric G-quadruplex [d-(TTAGGGT)] by anticancer drug epirubicin.

Anthracycline anticancer drugs show multiple strategies of action on gene functioning by regulation of telomerase enzyme by apoptotic factors, e.g. ceramide level, p53 activity, bcl-2 protein levels, besides inhibiting DNA/RNA synthesis and topoisomerase-II action.

Soft & Hard Tissue Assessment around Immediate & Delayed Implants: A Clinico-Radiographical Study.

The aim of the modern dentistry is to provide the predictable treatment in short duration. Replacement of missing teeth in shorter duration helps in fulfilling patient's aesthetics and functional demands. Endosseous dental implants are predictable method for replacing missing dentition.

Identification and in vivo validation of a 9-mer peptide derived from FSHβ with FSHR antagonist activity.

FSH-FSHR interaction is critical for folliculogenesis, spermatogenesis and progression of several cancers. Therefore, FSHR is an attractive target for fertility regulation and cancer therapeutics. Based on homology and structural analysis of hFSH-FSHR(ECD) complex, a minimal continuous stretch within FSHβ seat-belt loop (FSHβ (89-97)) was identified to be crucial for FSHR interaction.

Structural basis for stabilization of human telomeric G-quadruplex [d-(TTAGGGT)] by anticancer drug adriamycin.

Besides inhibiting DNA duplication, DNA dependent RNA synthesis and topoisomerase-II enzyme action, anticancer drug adriamycin is found to cause telomere dysfunction and shows multiple strategies of action on gene functioning. We present evidence of binding of adriamycin to parallel stranded intermolecular [d-(TTAGGGT)] G-quadruplex DNA comprising human telomeric DNA by proton and phosphorus-31 nuclear magnetic resonance spectroscopy. Diffusion ordered spectroscopy shows formation of complex between the two molecules.

Binding of anticancer drug adriamycin to parallel G-quadruplex DNA [d-(TTAGGGT)] comprising human telomeric DNA leads to thermal stabilization: A multiple spectroscopy study.

Adriamycin is known to exert its anti cancer action by inhibiting DNA duplication, RNA transcription and topoisomerase-II enzyme action. Recent findings of its binding to G-quadruplex DNA resulting in telomere dysfunction indicated multiple strategies of its action. The interaction of anticancer drug adriamycin with parallel stranded inter molecular G-quadruplex DNA [d-(TTAGGGT)] comprising human telomeric DNA sequence TTAGGG was investigated by absorption, fluorescence, circular dichroism and nuclear magnetic resonance spectroscopy to understand mode of their interaction.

Dual mode of binding of anti cancer drug epirubicin to G-quadruplex [d-(TTAGGGT)] containing human telomeric DNA sequence induces thermal stabilization.

Epirubicin exerts its anti cancer action by blocking DNA/RNA synthesis and inhibition of topoisomerase-II enzyme. Recent reports on its influence on telomere maintenance, suggest interaction with G-quadruplex DNA leading to multiple strategies of action. The binding of epirubicin with parallel stranded inter molecular G-quadruplex DNA [d-(TTAGGGT)] comprising human telomeric DNA sequence TTAGGG was investigated by absorption, fluorescence, circular dichroism and nuclear magnetic resonance spectroscopy.

Molecular recognition of 3+1 hybrid human telomeric G-quadruplex DNA d-[AGGG(TTAGGG)] by anticancer drugs epirubicin and adriamycin leads to thermal stabilization.

Recent reports suggest influence of anti-cancer anthracyclines on telomere dysfunction and their possible interaction with G-quadruplex (G4) DNA as an alternate pathway to apoptosis. We have investigated interaction of epirubicin and adriamycin with G4 DNA [d-AGGG(TTAGGG)] comprising human telomeric DNA sequence by surface plasmon resonance, absorption, fluorescence, circular dichroism and thermal denaturation. Epirubicin and adriamycin bind with affinity, K, = 2.

Pharmacokinetics of Single-dose Ertugliflozin in Patients With Hepatic Impairment.

Purpose: Ertugliflozin, an oral, highly selective inhibitor of the sodium-glucose cotransporter 2, is approved in the United States and the European Union for the treatment of adults with type 2 diabetes mellitus. Hepatic impairment may affect, to varying degrees, the absorption, metabolism, and excretion of drugs and may be associated with a lower plasma protein binding compared with that in healthy individuals. This study was conducted to assess the effect of hepatic impairment on the pharmacokinetic (PK), safety, and tolerability profiles of ertugliflozin after administration of a single, 15-mg oral dose.

A Retrospective Comparative Analysis of 2D Versus 3D Laparoscopy in Total Laparoscopic Hysterectomy for Large Uteri (≥ 500g).

Study Objective: To evaluate the outcomes of total laparoscopic hysterectomy using 3D vision in comparison with 2D vision in women with large uteri (≥500g).

Design: Retrospective analytical study Design Classification: Canadian Task Force II-1 Setting: Tertiary referral center for advanced gynecological surgery.

Patients: Five hundred forty six women who underwent total laparoscopic hysterectomy over a period of 13 years were studied: 301 under 2D vision and 245 under 3D vision.