Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach.

Machine learning (ML) methods have reached high accuracy levels for the prediction of in vacuo molecular properties. However, the simulation of large systems solely through ML methods (such as those based on neural network potentials) is still a challenge. In this context, one of the most promising frameworks for integrating ML schemes in the simulation of complex molecular systems are the so-called ML/MM methods. These multiscale approaches combine ML methods with classical force fields (MM), in the same spirit as the successful hybrid quantum mechanics-molecular mechanics methods (QM/MM). The key issue for such ML/MM methods is an adequate description of the coupling between the region of the system described by ML and the region described at the MM level. In the context of QM/MM schemes, the main ingredient of the interaction is electrostatic, and the state of the art is the so-called electrostatic-embedding. In this study, we analyze the quality of simpler mechanical embedding-based approaches, specifically focusing on their application within a ML/MM framework utilizing atomic partial charges derived in vacuo. Taking as reference electrostatic embedding calculations performed at a QM(DFT)/MM level, we explore different atomic charges schemes, as well as a polarization correction computed using atomic polarizabilites. Our benchmark data set comprises a set of about 80k small organic structures from the ANI-1x and ANI-2x databases, solvated in water. The results suggest that the minimal basis iterative stockholder (MBIS) atomic charges yield the best agreement with the reference coupling energy. Remarkable enhancements are achieved by including a simple polarization correction.

Reclassification of Cybistrinae Sharp, 1880 in the Neotropical Region (Coleoptera, Adephaga, Dytiscidae), with description of new taxa.

The classification of the Neotropical Cybistrinae Sharp, 1880 (Coleoptera: Adephaga: Dytiscidae) is extensively revised based on a phylogenetic analysis of morphological features of the group. A new genus, Nilssondytesgen. nov. is described for a unique new species, Nilssondytesdiversussp. nov. from Venezuela. The New World genus, Megadytes Sharp, 1882, with several subgenera, was found to not be monophyletic. The type species of Megadytes, Dytiscuslatus Fabricius, 1801 and the species Cybisterparvus Trémouilles, 1984 were found to be monophyletic together, and phylogenetically more closely related to Cybister Curtis, 1827 than to other species assigned to Megadytes sensu stricto, which were found to also be monophyletic. The name Megadytes is here restricted to include only Megadyteslatus and Megadytesparvus. These two species assigned to this newly restricted genus concept are reviewed and diagnosed. A new genus, Metaxydytesgen. nov., is erected to include all the other species currently assigned to Megadytes sensu stricto. The current subgenus names assigned to Megadytes, Bifurcitus Brinck, 1945, Paramegadytes Trémouilles & Bachmann, 1980, and Trifurcitus Brinck, 1945, are elevated to genus rank since they are variously paraphyletic. The two species assigned to Cybister (Neocybister) Miller, Bergsten & Whiting, 2007, Cybister (Neocybister) festae Griffini, 1895, and Cybister (Neocybister) puncticollis (Brullé, 1837) re reviewed and diagnosed with the former redescribed and its type specimens considered for the first time since its description. Another evidently new species and possible new genus, Megadytes species, IR57 (Ribera et al. 2008), from Peru, is also characterized, but not formally treated because of lack of important data for the single, partial specimen. Diagnostic features are illustrated for the entire group.

ResumenLa clasificación de Cybistrinae Sharp, 1880 neotropicales (Coleoptera: Adephaga: Dytiscidae) se revisa ampliamente con base en un análisis filogenético de características morfológicas del grupo. Un nuevo género, Nilssondytesgen. nov. se describe para la única nueva especie Nilssondytesdiversussp. nov. de Venezuela. Se encontró que el género, Megadytes Sharp, 1882, del Nuevo Mundo y con varios subgéneros, no es monofilético. Se encontró que la especie tipo de Megadytes, Dytiscuslatus Fabricius, 1801 y la especie Cybisterparvus Trémouilles, 1984 forman un grupo monofilético y filogenéticamente más estrechamente relacionado con Cybister Curtis, 1827 que con otras especies asignadas a Megadytes sensu stricto, que se encontró que también forman un grupo monofilético. El nombre Megadytes se restringe aquí para incluir solo a Megadyteslatus y Megadytesparvus. Se revisan y diagnostican estas dos especies asignadas a este nuevo concepto restringido del género. Un nuevo nombre, Metaxydytesgen. nov., se erige para incluir a todas las demás especies actualmente asignadas a Megadytes sensu stricto. Los nombres subgenéricos actuales asignados a Megadytes, Bifurcitus Brinck, 1945, Paramegadytes Trémouilles y Bachmann, 1980 y Trifurcitus Brinck, 1945, se elevan al rango de género, nuevo estado, ya que son parafiléticos de diversas formas. Se revisan y diagnostican las dos especies asignadas a Cybister (Neocybister) Miller, Bergsten y Whiting, 2007, Cybister (Neocybister) festae Griffini, 1895 y Cybister (Neocybister) puncticollis, redescribiendo la primera y considerando sus especímenes tipo por primera vez desde su descripción. Otra especie evidentemente nueva y posible nuevo género, Megadytes, IR57 (Ribera et al. 2008), de Perú, también se caracteriza, pero no se trata formalmente debido a la falta de datos importantes para el único espécimen parcial. Las características diagnósticas se ilustran para todo el grupo.

The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter.

Challenging the basis of our chemical intuition, recent experimental evidence reveals the presence of a new type of intrinsic fluorescence in biomolecules that exists even in the absence of aromatic or electronically conjugated chemical compounds. The origin of this phenomenon has remained elusive so far. In the present study, we identify a mechanism underlying this new type of fluorescence in different biological aggregates. By employing non-adiabatic ab initio molecular dynamics simulations combined with a data-driven approach, we characterize the typical ultrafast non-radiative relaxation pathways active in non-fluorescent peptides. We show that the key vibrational mode for the non-radiative decay towards the ground state is the carbonyl elongation. Non-aromatic fluorescence appears to emerge from blocking this mode with strong local interactions such as hydrogen bonds. While we cannot rule out the existence of alternative non-aromatic fluorescence mechanisms in other systems, we demonstrate that this carbonyl-lock mechanism for trapping the excited state leads to the fluorescence yield increase observed experimentally, and set the stage for design principles to realize novel non-invasive biocompatible probes with applications in bioimaging, sensing, and biophotonics.

Miradessus gen. nov. from South America described for two species previously in Amarodytes Régimbart, 1900 and two new species (Arthropoda, Insecta, Coleoptera, Adephaga, Dytiscidae, Hydroporinae, Bidessini).

Miradessusgen. nov. is described for two previously described species, Amarodytespulchellus Guignot, 1955 from Colombia, with new records from Venezuela, and A.plaumanni Gschwendtner, 1935, from Brazil, and two previously unknown species, Miradessusbenisp. nov., from Bolivia and Peru, and Miradessusrikaesp. nov. from Ecuador. The genus is characterized by 1) occipital line absent; 2) basal pronotal striae present; 3) basal elytral stria absent; 4) sutural elytral stria absent; 5) transverse carina on elytral epipleuron at humeral angle absent; 6) distinct marginal bead on anterior clypeal margin absent; and 7) male median lobe deeply multilobed with a dorsal portion separate from a unilobed or bilobed ventral portion.

ResumenSe describe a Miradessusgen. nov. para dos especies previamente descriptas, Amarodytespulchellus Guignot, 1955 de Colombia, con nuevos registros de Venezuela, y A.plaumanni Gschwendtner, 1935, de Brasil, y dos especies previamente desconocidas, Miradessusbeni, sp. nov., de Bolivia y Perú, y Miradessusrikae, sp. nov., de Ecuador. El género se caracteriza por 1) línea occipital ausente; 2) estría pronotal basal presente; 3) estría elitral basal ausente; 4) estría elitral sutural ausente; 5) carena transversa en el ángulo humeral del epipleuron elitral ausente; 6) reborde marcado en el margen anterior del clípeo ausente; y 7) lóbulo medio del macho profundamente multilobado con una porción dorsal separada de una porción ventral unilobada o bilobada.

Larval morphology and new records of the iconic diving beetle Acilius sinensis Peschet, 1915 (Coleoptera: Dytiscidae: Dytiscinae)-a species well established in western Yunnan, China.

Adults and larvae of the very rare Chinese endemic species Acilius sinensis Peschet, 1915 are newly reported from three localities in western Yunnan, which indicates the presence of viable populations in this area. Based on the available data, the rarity of the species in collections is more caused by collecting bias than actual threat of its habitat loss. All larval instars of A. sinensis are for the first time described according to the now generalized larval descriptive format of Dytiscidae, which incorporates detailed chaetotaxic and morphometric analyses. Like other known Acilius Leach, 1817 larvae, A. sinensis is characterized by the typical Y-shaped median process of prementum. So far as the third instar larva is considered, A. sinensis shares with A. fraternus (Harris, 1828), A. kishii Nakane 1963, A. semisulcatus Aubé, 1838, and A. sulcatus (Linnaeus, 1758) the median process of prementum invaginated at nearly 75% of its length compared to less than 35% in A. abbreviatus Aubé, 1838, A. duvergeri Gobert, 1874, and A. canaliculatus (Nicolai, 1822). As far as chaetotaxy is concerned, A. sinensis is distinguished by the presence of the primary pore PAo located on the ventral face of the parietal. The habitat of the species is briefly commented. Acilius sinensis is here newly proposed for inclusion in the IUCN red list in the category Vulnerable.

The very rare Japanese endemic diving beetle Japanolaccophilus niponensis (Kamiya, 1939), (Coleoptera: Dytiscidae, Laccophilinae): larval morphology and phylogenetic comparison with other known Laccophilini.

The three larval instars of Japanolaccophilus niponensis (Kamiya, 1939) (Coleoptera: Adephaga, Laccophilinae) are described for the first time according to the now genevralized larval descriptive format of Dytiscidae (Coleoptera: Adephaga), which incorporates detailed chaetotaxic and morphometric analyses. A parsimony analysis based on larval characteristics of 14 Laccophilini species in seven genera was conducted using the program TNT. One of the main results is that Japanolaccophilus Satô, 1972, which so far was treated as being related to Neptosternus Sharp, 1882 now stands out as sister to Laccophilus Leach, 1815, and Philodytes J. Balfour-Browne, 1938 with strong support. Additionally, Laccomimus Toledo & Michat, 2015, and Africophilus Guignot, 1948 are resolved as monophyletic and sister to a clade which itself is subdivided into two well supported clades: Neptosternus + Australphilus Watts, 1978, and Japanolaccophilus + (Laccophilus, Philodytes). Philodytes is here newly accepted as junior synonym of Laccophilus.

Role of preoperative 3D rendering for minimally invasive parenchyma sparing liver resections.

BACKGROUND: 3D rendering (3DR) represents a promising approach to plan surgical strategies. The study aimed to compare the results of minimally invasive liver resections (MILS) in patients with 3DR versus conventional 2D CT-scan. METHODS: We performed 118 3DR for various indications; the patients underwent a preoperative tri-phasic CT-scan and rendered with Synapse3D® Software. Fifty-six patients undergoing MILS with pre-operative 3DR were compared to a similar cohort of 127 patients undergoing conventional pre-operative 2D CT-scan using the propensity score matching (PSM) analysis. RESULTS: The 3DR mandated pre-operative surgical plan variations in 33.9% cases, contraindicated surgery in 12.7%, providing a new surgical indication in 5.9% previously excluded cases. PSM identified 39 patients in both groups with comparable results in terms of conversion rates, blood loss, blood transfusions, parenchymal R1-margins, grade ≥3 Clavien-Dindo complications, 90-days mortality, and hospital stay respectively in 3DR and conventional 2D. Operative time was significantly increased in the 3DR group (402 vs. 347 min, p = 0.020). Vascular R1 resections were 25.6% vs 7.7% (p = 0.068), while the conversion rate was 0% vs 10.2% (p = 0.058), respectively, for 3DR group vs conventional 2D. CONCLUSION: 3DR may help in surgical planning increasing resectability rate while reducing conversion rates, allowing the precise identification of anatomical landmarks in minimally invasive parenchyma-preserving liver resections.

Morphology of the larvae of Sandracottus femoralis Heller, 1934, and S. mixtus (Blanchard, 1843) and phylogenetic comparison with other known Aciliini (Coleoptera: Dytiscidae, Dytiscinae).

We describe the larvae of the diving-beetle genus Sandracottus Sharp, 1882 based on S. femoralis Heller, 1934 and S. mixtus (Blanchard, 1843). We include detailed morphometric and chaetotaxic analyses of the cephalic capsule, head appendages, legs, terminal abdominal segment and urogomphi in order to discover useful characters for distinguishing Sandracottus larvae from those of other known Aciliini (Coleoptera: Dytiscidae, Dytiscinae). A provisional parsimony analysis based on larval characteristics of seven Aciliini species in four genera (Acilius Leach, 1817, Graphoderus Dejean, 1833, Sandracottus, Thermonectus Dejean, 1833) was conducted using the program TNT. A clade grouping Eretini and Aciliini stands out as the most strongly supported in this analysis. The tribe Aciliini finds itself monophyletic with also very good support. Our analysis, however, failed to depict any clear phylogenetic relationships within the Aciliini although each of the four genera studied emerged from our study as morphologically distinct.

Feeding an unsalable carrot total-mixed ration altered bacterial amino acid degradation in the rumen of lambs.

The objective of this study was to determine the influence of a total-mixed ration including unsalable carrots at 45% DM on the rumen microbiome; and the plasma, rumen and liver metabolomes. Carrots discarded at processing were investigated as an energy-dense substitute for barley grain in a conventional feedlot diet, and improved feed conversion efficiency by 25%. Here, rumen fluid was collected from 34 Merino lambs at slaughter (n = 16 control; n = 18 carrot) after a feeding period of 11-weeks. The V4 region of the 16S rRNA gene was sequenced to profile archaeal and bacterial microbe communities. Further, a comprehensive, targeted profile of known metabolites was constructed for blood plasma, rumen fluid and biopsied liver metabolites using a gas chromatography mass spectrometry (GC-MS) metabolomics approach. An in vitro batch culture was used to characterise ruminal fermentation including gas and methane (CH4) production. In vivo rumen microbial community structure of carrot fed lambs was dissimilar (P < 0.01; PERMANOVA), and all measures of alpha diversity were greater (P < 0.01), compared to those fed the control diet. Unclassified genera in Bacteroidales (15.9 ± 6.74% relative abundance; RA) were more abundant (P < 0.01) in the rumen fluid of carrot-fed lambs, while unclassified taxa in the Succinivibrionaceae family (11.1 ± 3.85% RA) were greater (P < 0.01) in the control. The carrot diet improved in vitro ruminal fermentation evidenced as an 8% increase (P < 0.01) in DM digestibility and a 13.8% reduction (P = 0.01) in CH4 on a mg/ g DM basis, while the control diet increased (P = 0.04) percentage of propionate within total VFA by 20%. Fourteen rumen fluid metabolites and 27 liver metabolites were influenced (P ≤ 0.05) by diet, while no effect (P ≥ 0.05) was observed in plasma metabolites. The carrot diet enriched (impact value = 0.13; P = 0.01) the tyrosine metabolism pathway (acetoacetic acid, dopamine and pyruvate), while the control diet enriched (impact value = 0.42; P ≤ 0.02) starch and sucrose metabolism (trehalose and glucose) in rumen fluid. This study demonstrated that feeding 45% DM unsalable carrots diversified bacterial communities in the rumen. These dietary changes influenced pathways of tyrosine degradation, such that previous improvements in feed conversion efficiency in lambs could be explained.

Bunites distigma (Brull, 1837): discovery of the second- and third-instar larvae and phylogenetic relationships within the Colymbetinae (Coleoptera: Dytiscidae).

The second- and third-instar larvae of the diving beetle Bunites distigma (Brull, 1837) are described and illustrated for the first time, including detailed morphometric and chaetotaxic analyses of selected structures, and their phylogenetic relationships within the Colymbetinae are re-evaluated. The results support previous hypotheses on the position of this genus based on first-instar characters, as Bunites Spangler, 1972 shares a common origin with Meladema Laporte, 1835, Hoperius Fall, 1927 and Neoscutopterus J. Balfour-Browne, 1943, and within this clade, it is sister to Meladema. Instars II and III of Bunites differ from other colymbetine genera by the presence of a basal suture on the urogomphi combined with the presence of posteroventral secondary setae on the protarsus. Some information on the habitat of the species is also provided.

Redescription and neotype designation of Suphis fluviatilis Guignot, 1948 (Coleoptera: Dytiscoidea: Noteridae) and notes on other species of the genus.

Suphis fluviatilis Guignot, 1948 was described based on a single female specimen, and according to the author, the type was deposited in the Museum National dHistoire Naturelle (Paris, France). However, the diagnostic features of the specimen deposited under this name and provided with the respective labels deviate considerably from those given by Guignot in his original description. It is shown that this specimen belongs to Suphis notaticollis Zimmermann, 1921, confirming previous observations by Luis Grosso in 1980. Thus, a neotype of S. fluviatilis is designated to avoid instability of the nomenclature by the impending synonymy of S. fluviatilis with S. notaticollis. Suphis fluviatilis is redescribed in detail, including illustrations of the main diagnostic characters. The species is compared with other Neotropical Suphis species, in particular with S. notaticollis. Additionally, the male genitalia of Suphis intermedius Rgimbart, 1903 are described for the first time, and a first record from Paraguay is given.

Morphology of the larvae of Rhantaticus congestus (Klug, 1833) and phylogenetic comparison with other known Aciliini (Coleoptera: Dytiscidae: Dytiscinae).

We describe the second- and third instar larvae of the diving beetle Rhantaticus congestus (Klug, 1833), including detailed morphometric and chaetotaxic analyses of the cephalic capsule, head appendages, legs, terminal abdominal segment and urogomphi in order to discover useful characters for distinguishing Rhantaticus Sharp, 1882 larvae from those of other known Aciliini (Coleoptera: Dytiscidae: Dytiscinae). A parsimony analysis based on 94 larval characteristics of nine Aciliini species in five genera (Acilius Leach, 1817, Graphoderus Dejean, 1833, Rhantaticus, Sandracottus Sharp, 1882, Thermonectus Dejean, 1833) was conducted using the program TNT. Rhantaticus shares with all these genera several larval character states which support its inclusion in the Aciliini. Whereas Rhantaticus larva stands out from other known genera by several unique character states, our parsimony analysis did not recover any clear phylogenetic position of this genus within the Aciliini.

Remodelling the surface of thioredoxin from Escherichia coli by grafting an iron-binding site from the CyaY protein family.

In this work, we have designed and generated a Fe(III)-binding protein with thiol oxidoreductase activity. The consensus iron-binding motif EExxED from the frataxin protein family was grafted on a model peptide and on the surface of thioredoxin (TRX) from E. coli. We investigated metal interactions with a family of peptides containing the motif EExxED or altered versions obtained by removing negatively charged residues: EExxEx, xExxED, and xExxEx. The interaction of the metal ion with the peptides was studied by circular dichroism, and our results indicated that the motif EExxED retained its functional properties and also that this motif is able to bind Ga(III) and Al(III). The interaction of the grafted TRX with iron(III) was investigated by NMR, showing that the motif was functional in the context of the protein structure, and also the binding of two equivalents of Fe(III) per TRX molecule was stable in a non-chelating neutral buffer. Protein conformation, stability, and enzymatic activity were studied by applying experimental and computational approaches. Interestingly, the thiol oxidoreductase activity was modulated by interaction with Ga(III), a Fe(III) mimetic ion. Furthermore, the design of functional proteins with both functions, oxidoreductase activity and metal-ion binding ability, should consider the reorganisation of the electrostatic network. Similarly, studying the crosstalk and electrostatic balance among different metal-binding sites may be critical.

Characterisation of the Faecal Microbiome of Foals from 0-5 Months of Age and Their Respective Mares across Five Geographic Locations.

BACKGROUND: A foal undergoes considerable growth and development from birth to weaning, progressing from a milk-based diet to complete herbivory. The symbiotic relationships between bacteria, archaea and fungi substantiate this energy demand by colonising the hindgut and remaining flexible throughout the diet transitions. METHODS: A total of 70 faecal samples were collected from 14 mares and their foals across five studs in NSW as they aged from 0 to 5 months old. DNA was extracted from faecal samples and underwent amplification and sequencing of the 16S rRNA gene V4 hypervariable region of archaea and bacteria, and the fungal internal transcribed spacer-1 (ITS1) region. The fungal and bacterial community structure was assessed using Bray-Curtis dissimilarities, and the effect of age at sampling and location was determined using PERMANOVA. RESULTS: Age at sampling had a substantial effect on the foal's archaeal and bacterial faecal microbiota (PERMANOVA: R2 = 0.16; p < 0.01), while the effect of geographical location was smaller but still significant (PERMANOVA: R2 = 0.07; p < 0.01). The overall abundance, diversity and richness of bacterial and archaeal populations increased (p < 0.01) as foals aged, most noticeably rising between foals 1 to 2 and 2 to 3 months of age. The 15 most relatively abundant fungal species were all environmental saprophytes, most strongly affected by geographical location (p < 0.01) rather than age at sampling. There was an effect of location on Preussia Africana (p = 0.02) and a location × age interaction for fungal species Preussia persica (p < 0.01), Acremonium furcatum (p = 0.04), and Podospora pseudocomata (p = 0.01). There was no effect of age, location, or location × age interaction on the relative abundance of the remaining fungal species. CONCLUSIONS: The faecal microbiome appeared to stabilise for most bacterial and archaeal genera by 2 to 3 months of age, resembling an adult mare. Bacterial genera isolated from faecal samples belonged mainly to the Firmicutes phylum. Age at sampling more strongly affected the archaeal and bacterial faecal microbiota than the effect of the geographical location where the horse was sampled. The lack of effect of location on microbe populations suggests that although environmental factors may influence population structure, there are distinct differences at each stage of foal maturation.

Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule?

While in the vast majority of cases fluorescence in biological matter has been attributed to aromatic or conjugated groups, peptides associated with neurodegenerative diseases, such as Alzheimer's, Parkinson's, or Huntington's, have been recently shown to display an intrinsic visible fluorescence even in the absence of aromatic residues. This has called the attention of researchers from many different fields, trying to understand the origin of this peculiar behavior and, at the same time, motivating the search for novel strategies to control the optical properties of new biophotonic materials. Today, after nearly 15 years of its discovery, there is a growing consensus about the mechanism underlying this phenomenon, namely, that electronic interactions between non-optically active molecules can result in supramolecular assemblies that are fluorescent. Despite this progress, many aspects of this phenomenon remain uncharted territory. In this Perspective, we lay down the state-of-the-art in the field highlighting the open questions from both experimental and theoretical fronts in this fascinating emerging area of non-aromatic fluorescence.

Larval morphology of the Neotropical diving beetle genus Hemibidessus Zimmermann, 1921 (Coleoptera: Dytiscidae: Bidessini).

We describe for the first time the larva of the diving-beetle genus Hemibidessus Zimmermann, 1921, based on instars II and III of H. conicus (Zimmermann, 1921). We include detailed morphometric and chaetotaxic analyses of the cephalic capsule, head appendages, legs, last abdominal segment and urogomphi in order to discover useful characters for distinguishing Hemibidessus larvae from those of other known Bidessini. Hemibidessus larvae characteristically have elongate legs armed with natatory setae and elongate urogomphi that bear numerous secondary setae, features commonly associated with an increased swimming ability. These characters are shared with Brachyvatus Zimmermann, 1921, suggesting a close phylogenetic relationship between these two genera. The primary seta UR8 is inserted apically on urogomphomere 2 in Hemibidessus larvae, a feature so far only shared with the mature larva of Yola Gozis, 1886. Other characters that combined with those previously mentioned are useful to distinguish Hemibidessus from other bidessines are the absence of a ventroapical spinula on antennomere 3 and the presence of secondary dorsal setae on protarsus.

An outlook on larval morphology of Copelatinae diving beetles with phylogenetic considerations (Coleoptera: Adephaga, Dytiscidae).

The larvae of 12 species of Copelatinae, Copelatus alternatus Sharp, 1882, C. caelatipennis princeps Young, 1963, C. glyphicus (Say, 1823), C. japonicus Sharp, 1884, C. masculinus Rgimbart, 1899, C. nakamurai Guorguiev, 1970, C. oblitus Sharp, 1882, C. parallelus Zimmermann, 1920, C. tenebrosus Rgimbart, 1880, Exocelina australiae (Clark, 1863), E. ferruginea (Sharp, 1882), and Liopterus haemorrhoidalis (Fabricius, 1787) are described or redescribed, including for the first time a detailed chaetotaxy analysis of the cephalic capsule, head appendages, legs, last abdominal segment and urogomphi. A provisional parsimony analysis based on larval characteristics of 13 copelatine species was conducted using the program TNT, which reinforces the monophyletic origin of the Copelatinae. Copelatinae larvae stand out from the remaining Dytiscidae based on several synapomorphies, including the unusual shorter length of the mesothoracic legs. Legs and urogomphi morphology suggest that Copelatinae larvae studied evolved a creeping way of life. The provisional phylogenetic analysis presented in this study provides some arguments for the validity of the taxonomic status of the genera Liopterus Dejean, 1833 and Exocelina Broun, 1886.

Effectiveness of an immersive virtual reality environment on curricular training for complex cognitive skills in liver surgery: a multicentric crossover randomized trial.

BACKGROUND: Virtual reality (VR) is increasingly used in surgical education, but evidence of its benefits in complex cognitive training compared to conventional 3-dimensional (3D) visualization methods is lacking. The objective of this study is to assess the impact of 3D liver models rendered visible by VR or desktop interfaces (DIs) on residents' performance in clinical decision-making. METHOD: From September 2020 to April 2021, a single-blinded, crossover randomized educational intervention trial was conducted at two university hospitals in Belgium and Italy. A proficiency-based stepwise curriculum for preoperative liver surgery planning was developed for general surgery residents. After completing the training, residents were randomized in one of two assessment sequences to evaluate ten real clinical scenarios. RESULTS: Among the 50 participants, 46 (23 juniors/23 seniors) completed the training and were randomized. Forty residents (86.96%) achieved proficiency in decision-making. The accuracy of virtual surgical planning using VR was higher than that using DI in both groups A (8.43 ± 1.03 vs 6.86 ± 1.79, p < 0.001) and B (8.08 ± 0.9 vs 6.52 ± 1.37, p < 0.001). CONCLUSION: Proficiency-based curricular training for liver surgery planning successfully resulted in the acquisition of complex cognitive skills. VR was superior to DI visualization of 3D models in decision-making. GOV ID: NCT04959630.

Systematic review, meta-analysis and single-centre experience of the diagnostic accuracy of intraoperative near-infrared indocyanine green-fluorescence in detecting pancreatic tumours.

BACKGROUND: During pancreatic resections assessing tumour boundaries and identifying the ideal resection margins can be challenging due to the associated pancreatic gland inflammation and texture. This is particularly true in the context of minimally invasive surgery, where there is a very limited or absent tactile feedback. Indocyanine green (ICG) fluorescence imaging can assist surgeons by simply providing valuable real-time intraoperative information at low cost with minimal side effects. This meta-analysis summarises the available evidence on the use of near-infrared fluorescence imaging with ICG for the intraoperative visualization of pancreatic tumours (PROSPERO ID: CRD42021247203). METHODS: MEDLINE, Embase, and Web Of Science electronic databases were searched to identify manuscripts where ICG was intravenously administered prior to or during pancreatic surgery and reporting the prevalence of pancreatic lesions visualised through fluorescence imaging. RESULTS: Six studies with 7 series' reporting data on 64 pancreatic lesions were included in the analysis. MINOR scores ranged from 6 to 10, with a median of 8. The most frequent indications were pancreatic adenocarcinoma and neuroendocrine tumours. In most cases (67.2%) ICG was administered during surgery. ICG fluorescence identified 48/64 lesions (75%) with 81.3% accuracy, 0.788 (95%CI 0.361-0.961) sensitivity, 1 (95%CI 0.072-1) specificity and positive predictive value of 0.982 (95%CI 0.532-1). In line with the literature, ICG fluorescence identified 5/6 (83.3%) of pancreatic lesions during robotic pancreatic resections performed at our Institution. CONCLUSION: This meta-analysis is the first summarising the results of ICG immunofluorescence in detecting pancreatic tumours during surgery, showing good accuracy. Additional research is needed to define optimal ICG administration strategies and fluorescence intensity cut-offs.