Mechanistic insights into water-stabilized dye-neurotransmitter intermolecular complexes in zeolite channels.

Dye-zeolite nanomaterials are promising candidates for neurotransmitter detection, however, their sensing mechanism has remained speculative. Using molecular dynamics (AIMD) simulations, we demonstrate that water molecules play a critical role in stabilizing complexes formed between the dicationic dye and cationic neurotransmitters within the zeolite framework. This interaction exhibits binding motifs akin to those in protein-ligand complexes rather than conventional host-guest systems.

Impact of -OH surface defects on the electronic and structural properties of nickel oxide thin films.

Nickel oxide-based thin films and nanomaterials are a current focus of intense research efforts due to the broad range of end uses in a variety of applications. While the chemico-physical properties of bulk NiO crystals, characterized by a wide band gap (4.0-4.

The Swiss Army Knife of Electrodes: Pillar[6]arene-Modified Electrodes for Molecular Electrocatalysis Over a Wide pH Range.

Molecularly-modified electrode materials that maintain stability over a broad pH range are rare. Typically, each electrochemical transformation necessitates a specifically tuned system to achieve strong binding and high activity of the catalyst. Here, we report the functionalisation of mesoporous indium tin oxide (mITO) electrodes with the macrocyclic host molecule pillar[6]arene (PA[6]).

neurotoxicity testing: lessons from chemotherapy-induced peripheral neurotoxicity.

Introduction: Chemotherapy induced peripheral neurotoxicity (CIPN) is a long-lasting, or even permanent, late toxicity caused by largely used anticancer drugs. CIPN affects a growing population of cancer survivors and diminishes their quality of life since there is no curative/preventive treatment. Among several reasons for this unmet clinical need, there is an incomplete knowledge on mechanisms leading to CIPN.

Association Between Elevated Body Mass Index and Cardiac Organ Damage in Children and Adolescents: Evidence and Mechanisms.

Introduction: Although a number of pathophysiological aspects of childhood obesity have been reported, few information are available on obesity-related cardiac organ damage.

Aim: The present study was aimed at assessing the impact of anthropometric, blood pressure (BP) and metabolic variable on cardiac structure and function in youth.

Methods: In 78 subjects aged 5-16 years attending the outpatient clinic of cardiovascular risk (Valencia, Spain) anthropometric and metabolic variables, clinic and ambulatory BP and echocardiographic parameters were assessed.

On the Fragmentation of Ni(II) β-Diketonate-Diamine Complexes as Molecular Precursors for NiO Films: A Theoretical and Experimental Investigation.

NiO-based nanomaterials have attracted considerable interest for different applications, which have stimulated the implementation of various synthetic approaches aimed at modulating their chemico-physical properties. In this regard, their bottom-up preparation starting from suitable precursors plays an important role, although a molecular-level insight into their reactivity remains an open issue to be properly tackled. In the present study, we focused on the fragmentation of Ni(II) diketonate-diamine adducts, of interest as vapor-phase precursors for Ni(II) oxide systems, by combining electrospray ionization mass spectrometry (ESI-MS) with multiple collisional experiments (ESI-MS) and theoretical calculations.

Generative Artificial Intelligence-Assisted Protein Design Must Consider Repurposing Potential.

Generative artificial intelligence software used for chemical and protein design has repurposing potential. We propose careful discussion in the biotech community on security considerations of such technologies and serious consideration of restrictions to control who can access the software and what applications it is used for.

Interplay between coordination sphere engineering and properties of nickel diketonate-diamine complexes as vapor phase precursors for the growth of NiO thin films.

NiO-based films and nanostructured materials have received increasing attention for a variety of technological applications. Among the possible strategies for their fabrication, atomic layer deposition (ALD) and chemical vapor deposition (CVD), featuring manifold advantages of technological interest, represent appealing molecule-to-material routes for which a rational precursor design is a critical step. In this context, the present study is focused on the coordination sphere engineering of three heteroleptic Ni(II) β-diketonate-diamine adducts of general formula [NiLTMEDA] [L = 1,1,1-trifluoro-2,4-pentanedionate (tfa), 2,2-dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedionate (fod) or 2,2,6,6-tetramethyl-3,5-heptanedionate (thd), and TMEDA = ,,','-tetramethylethylenediamine].

Preventing AI From Creating Biochemical Threats.

We have previously applied our machine learning models for bioactivity and toxicity along with a generative algorithm to develop VX and tens of thousands of analogues. The publication brought attention to the ease of designing chemical warfare agents. In this Viewpoint, we discuss 10 recommendations to prevent future biochemical threats.

Accelerated and natural carbonation of a municipal solid waste incineration (MSWI) fly ash mixture: Basic strategies for higher carbon dioxide sequestration and reliable mass quantification.

The carbonation of alkaline wastes is an interesting research field that may offer opportunities for CO reduction. However, the literature is mainly devoted to studying different waste sequestration capabilities, with lame attention to the reliability of the data about CO reduction, or to the possibilities to increase the amount of absorbed CO. In this work, for the first time, the limitation of some methods used in literature to quantify the amount of sequestered CO is presented, and the advantages of using suitable XRD strategies to evaluate the crystalline calcium carbonate phases are demonstrated.

A Reciprocal Transplant Experiment Confirmed Mite-Resistance in a Honey Bee Population from Uruguay.

In the past few years there has been an increasing interest for the study of honey bee populations that are naturally resistant to the ectoparasitic mite , aiming to identify the mechanisms that allow the bees to limit the reproduction of the mite. In eastern Uruguay there are still bees resistant to mites that survive without acaricides. In order to determine if the differential resistance to was maintained in other environments, a reciprocal transplant experiment was performed between the mite-resistant bee colonies and the mite-susceptible bee colonies from the east and the west of the country, respectively, infesting bees with local mites.

AI in drug discovery: A wake-up call.

Following a proof-of-concept presentation on dual-use artificial intelligence (AI) in drug discovery by Collaborations Pharmaceuticals Inc. to the Swiss Federal Institute for NBC-Protection, we explored how a generative algorithm could develop the nerve agent VX and tens of thousands of analogs in a highly impactful commentary. We not only laid out the experiment, but, with guidance from experts on arms control and dual-use, we called for more discussion around the general repurposing potential of AI in drug discovery.

A Nanofocused Light on Stradivari Violins: Infrared s-SNOM Reveals New Clues Behind Craftsmanship Mastery.

It is well-known that all the phases of the manufacturing influence the extraordinary aesthetic and acoustic features of Stradivari's instruments. However, these masterpieces still keep some of their secrets hidden by the lack of documentary evidence. In particular, there is not a general consensus on the use of a protein-based ground coating directly spread on the wood surface by the Cremonese Master.

Dual Use of Artificial Intelligence-powered Drug Discovery.

An international security conference explored how artificial intelligence (AI) technologies for drug discovery could be misused for de novo design of biochemical weapons. A thought experiment evolved into a computational proof.

Assessing emerging technologies from an arms control perspective.

Developments in science and technology improve health and wellbeing of humankind, for example with better methods to detect and treat diseases. However, some advances have led to the development of weapons of mass destruction: chemical and biological weapons. Although banned by international treaties, chemical weapons have been used in recent years in assassinations and the Syrian civil war.

Metronidazole-induced hepatotoxicity in a patient with xeroderma pigmentosum: A case report.

Rationale: Whereas metronidazole-induced hepatotoxicity is quite rare in the general population, in individuals carrying a nucleotide excision repair disorder, namely Cockayne syndrome, there is a high risk of developing this complication.

Patient Concerns: We report the case of a 44-year-old man, affected by xeroderma pigmentosum, who was admitted to the hospital presenting aspiration pneumoniae caused by worsening dysphagia and with severe hepatotoxicity during the hospitalization.

Diagnoses: Acute hepatitis, which was leading to acute liver failure, occurred during antibiotic treatment with metronidazole and ceftazidime with an elevation of liver enzymes consistent with hepatocellular damage pattern.

Recurrence of Pemphigus Vulgaris after Bilateral Breast Irradiation: A Case Report and Review of the Literature.

Pemphigus is a serious and rare chronic bullous autoimmune disease. It is characterized by mucocutaneous erosions secondary to autoantibodies directed against desmogleins 1 and 3, proteins involved in intercellular adhesion mechanisms. The occurrence of pemphigus is based on the triggering of genetic and external environmental factors such as drugs, infection, and more rarely radiotherapy.

When a Tritrophic Interaction Goes Wrong to the Third Level: Xanthoxylin From Trees Causes the Honeybee Larval Mortality in Colonies Affected by the River Disease.

The "River Disease" (RD), a disorder impacting honeybee colonies located close to waterways with abundant riparian vegetation (including Sebastiania schottiana, Euphorbiaceae), kills newly hatched larvae. Forager bees from RD-affected colonies collect honeydew excretions from Epormenis cestri (Hemiptera: Flatidae), a planthopper feeding on trees of S. schottiana.

Intra-Colonial Viral Infections in Western Honey Bees ().

RNA viruses play a significant role in the current high losses of pollinators. Although many studies have focused on the epidemiology of western honey bee () viruses at the colony level, the dynamics of virus infection within colonies remains poorly explored. In this study, the two main variants of the ubiquitous honey bee virus DWV as well as three major honey bee viruses (SBV, ABPV and BQCV) were analyzed from -parasitized pupae.

Strengthening the United Nations Secretary-General's Mechanism to an alleged use of bioweapons through a quality-assured laboratory response.

The cascade of innovations in biotechnology opens new pathways for biological warfare. The international laboratory network being developed under the UN Secretary-General’s Mechanism could provide vital evidence in case of an alleged biological attack.

'Conjugate' coseismic surface faulting related with the 29 December 2020, Mw 6.4, Petrinja earthquake (Sisak-Moslavina, Croatia).

We provide here a first-hand description of the coseismic surface effects caused by the Mw 6.4 Petrinja earthquake that hit central Croatia on 29 December 2020. This was one of the strongest seismic events that occurred in Croatia in the last two centuries.

Parasites and RNA viruses in wild and laboratory reared bumble bees Bombus pauloensis (Hymenoptera: Apidae) from Uruguay.

Bumble bees (Bombus spp.) are important pollinators insects involved in the maintenance of natural ecosystems and food production. Bombus pauloensis is a widely distributed species in South America, that recently began to be managed and commercialized in this region.