Assessment of Charge Transfer Energies of Noncovalently Bounded Ar-TCNE Complexes Using Range-Separated Density Functionals and Double-hybrid Density Functionals.

Charge Transfer (CT) molecular complexes have recently received much attention in a broad variety of fields. The time-dependent density functional theory (TDDFT), which is essential for studying CT complexes, is a well-established tool to study the excited states of relatively large molecular systems. However, when dealing with donor-acceptor molecules with CT characteristics, TDDFT calculations based on standard functionals can severely underestimate the excitation energies.

Advancing Neurocritical Care with Artificial Intelligence and Machine Learning: The Promise, Practicalities, and Pitfalls ahead.

Expansion of artificial intelligence (AI) in the field of medicine is changing the paradigm of clinical practice at a rapid pace. Incorporation of AI in medicine offers new tools as well as challenges, and physicians and learners need to adapt to assimilate AI into practice and education. AI can expedite early diagnosis and intervention with real-time multimodal monitoring.

Dramatic Reanimation and Spontaneous Re-Canalization of a Fourth Ventricular Hemorrhage: "REVIVE" Phenomenon.

Background: Intraventricular hemorrhage is a calamitous type of stroke where bleeding into the ventricular system can be defined as: primary, if confined within the ventricles; or secondary, due to intracerebral hemorrhage extending from adjacent parenchyma. Intraventricular blood clot can lead to secondary insult and inflammatory responses that culminates in hydrocephalus as the most common cause of death.

Purpose: THerein, we report a patient with a high modified Graeb scale and low Glasgow coma scale.

Chiral Liquid-Crystal-Based Concave Holographic Spectrometer on a Curved Substrate.

Chiral liquid crystals (CLCs) self-assemble into a helical structure and can efficiently reflect circularly polarized light with corresponding handedness. Utilizing a curved glass substrate and polymerization of photoaligned CLCs, the operation of focusing and diffraction of incident light can be performed efficiently by a single component. When focusing and diffraction in a planar CLC cell are combined between two glass plates, the imaging suffers from astigmatism in the resulting spectrum.

Novel 2-mercaptobenzothiazole and 2-mercaptobenzimidazole-derived Ag and Ag nanoclusters: synthesis and optical properties.

Silver and gold nanoclusters are promising nanomaterials for various applications such as sensing, catalysis, and bioimaging. However, their synthetic control and repeatability, and determination of their structures are highly complicated. Only a handful of crystal structures of silver nanoclusters (AgNCs) have been reported, while structures of a few others have been reported with the help of mass spectrometry.

Spectrin condensates provide a nidus for assembling the periodic axonal structure.

Coordinated assembly of individual components into higher-order structures is a defining theme in biology, but underlying principles are not well-understood. In neurons, α/β spectrins, adducin, and actinfilaments assemble into a lattice wrapping underneath the axonal plasma membrane, but mechanistic events leading to this periodic axonal structure (PAS) are unclear. Visualizing PAS components in axons as they develop, we found focal patches in distal axons containing spectrins and adducin (but sparse actin filaments) with biophysical properties reminiscent of biomolecular condensation.

Disease and brain region specific immune response profiles in neurodegenerative diseases with pure and mixed protein pathologies.

The disease-specific accumulation of pathological proteins has long been the major focus of research in neurodegenerative diseases (ND), including Alzheimer's disease (AD) and related dementias (RD), but the recent identification of a multitude of genetic risk factors for ND in immune-associated genes highlights the importance of immune processes in disease pathogenesis and progression. Studies in animal models have characterized the local immune response to disease-specific proteins in AD and ADRD, but due to the complexity of disease processes and the co-existence of multiple protein pathologies in human donor brains, the precise role of immune processes in ND is far from understood. To better characterize the interplay between different extracellular and intracellular protein pathologies and the brain's intrinsic immune system in ND, we set out to comprehensively profile the local immune response in postmortem brain samples of individuals with "pure" beta-Amyloid and tau pathology (AD), "pure" α-Synuclein pathology in Lewy body diseases (LBD), as well as cases with Alzheimer's disease neuropathological changes (ADNC) and Lewy body pathology (MIX).

Noble gas dative bonding with coinage metal carbene complexes: A theoretical study.

The structure and stability of noble gas (Ng) bound [NHCM] complexes (M = Cu, Ag, and Au) were investigated using Quantum chemical calculations. Dissociation energies, enthalpy, and free energy changes were computed to comprehend the stability of these Ng-bonded complexes. The nature of interactions associated to the bonding between metal and noble gas atoms was studied through the computation of electron density-based descriptors.

Artificial intelligence and machine learning in aneurysmal subarachnoid hemorrhage: Future promises, perils, and practicalities.

Introduction: Aneurysmal subarachnoid hemorrhage (SAH) is a subtype of hemorrhagic stroke with thirty-day mortality as high as 40%. Given the expansion of Machine Learning (ML) and Artificial intelligence (AI) methods in health care, SAH patients desperately need an integrated AI system that detects, segments, and supports clinical decisions based on presentation and severity.

Objectives: This review aims to synthesize the current state of the art of AI and ML tools for the management of SAH patients alongside providing an up-to-date account of future horizons in patient care.

A suspected case of Lyme disease causing complete heart block.

Carditis is a rare complication of Lyme disease and usually presents in the early dissemination phase, several weeks after exposure to a tick bite. Conduction abnormalities are the most common manifestation of Lyme carditis. The presentation can vary from atrioventricular conduction delay (first-degree atrioventricular conduction block) to life-threatening situations, such as a complete heart block.

Solvent Effect on the Photoinduced Intramolecular Charge-Transfer and Redox Potentials of Three Difuranones.

We report solvent-dependent excited state properties of three difuranone derivatives with a quinoidal backbone by steady-state and lifetime fluorescence measurements and theoretical calculations. Remarkable bathochromic shifts in fluorescence with diminished intensity indicate the occurrence of strong intramolecular charge-transfer transitions in high polar solvents. Cyclic voltammetric redox potentials reveal an interesting variation of biradical characters of the compounds with increasing solvent polarity.

Multimodal monitoring: practical recommendations (dos and don'ts) in challenging situations and uncertainty.

With the advancements in modern medicine, new methods are being developed to monitor patients in the intensive care unit. Different modalities evaluate different aspects of the patient's physiology and clinical status. The complexity of these modalities often restricts their use to the realm of clinical research, thereby limiting their use in the real world.

Harlequin syndrome.

A 56-year-old man presented to the clinic with episodic headaches for several years which had been worsening over a few months prior to the presentation. He described headache as sharp, stabbing pain around the left eye associated with nausea, vomiting, photophobia, and phonophobia lasting for hours associated with flushing on the left side of the face. The picture of his face during these episodes showed flushing of the left side of the face, ptosis of the right eyelid, and miosis (panel A).

Coordination of noble gases by alkali-metal-like superatom cation Be B.

Quantum chemical calculations were carried out to investigate the noble gas binding ability of Be B cluster. Calculations reveal that heavier noble gas atoms (ArXe) form stable complexes with this cluster. Detailed bonding analyses reveal that the noble gas atoms act as donor fragment in the formation of Ng → Be donor-acceptor bonds.

Outcomes of Hem-o-Lok clip migration at vesico-urethral anastomotic site post-robotic-assisted laparoscopic radical prostatectomy: a single centre experience.

Background: Robotic-assisted laparoscopic prostatectomy (RALP) is the most preferred intervention for the management of prostatic malignancy worldwide. Hem-o-Lok clips (HOLC) are widely used for haemostasis and lateral pedicle ligation. These clips are prone to migrate and lodge at the anastomotic junction as well as inside the bladder causing lower urinary tract symptoms (LUTS) secondary to bladder neck contracture (BNC) or bladder calculi.

Closed-loop vasculature network design for bioprinting large, solid tissue scaffolds.

Vascularization is an indispensable requirement for fabricating large solid tissues and organs. The natural vasculature derived from medical imaging modalities for large tissues and organs are highly complex and convoluted. However, the present bioprinting capabilities limit the fabrication of such complex natural vascular networks.

Native fauna interact differently with native and alien trees in a tropical megacity.

The negative effects of invasive alien plant species on natural ecosystems are well known. However, in rapidly growing cities, alien plants can provide native fauna with resources otherwise lost due to the biotic homogenization, which is common to urban ecosystems. Interactions of native fauna with alien flora have thus far focused largely on invertebrate pollinators in temperate cities in the northern hemisphere.

Leptospiral myocarditis and pancreatitis.

While are known to cause multi-system dysfunction, cardiac involvement is uncommon. We present a case febrile myocarditis diagnosed to have leptospirosis. The patient also had pancreatitis, jaundice and renal failure but recovered well with timely management.

Autosomal Recessive Spastic Ataxia of Charlevoix-Saguenay due to Novel Mutations in the Gene.

Autosomal recessive spastic ataxia of Charlevoix-Saguenay (ARSACS) is characterized by triad of progressive cerebellar ataxia, progressive spasticity, and axonal/demyelinating peripheral neuropathy. Other manifestations include dysarthria, weakness in lower extremities and distal muscle wasting, foot deformities, retinal striation, prolapse of the mitral valve and rarely intellectual disability, hearing loss, and myoclonic epilepsy. We describe a patient who developed peripheral sensorimotor neuropathy in the absence of spasticity on initial presentation.

Clinical Evaluation of Two Different Doses of Clonidine as an Adjuvant to Bupivacaine in Ultrasound-Guided Supraclavicular Brachial Plexus Block for Pediatric Upper Limb Surgeries - A Randomized Trial.

Background: Clonidine as an adjuvant to local anesthetic for regional anesthesia in upper limb surgeries has been extensively studied in adults, but there is a paucity of data regarding the dose of clonidine which is effective and safe as an adjuvant in children.

Aims: To find the dose of clonidine that prolongs the duration of analgesia without prolonging the side effects.

Settings And Design: Prospective, randomized, double-blind study.