Locally activated Monte Carlo method for long-time-scale simulations

We present a technique for the structural optimization of atom models to study long time relaxation processes involving different time scales. The method takes advantage of the benefits of both the kinetic Monte Carlo (KMC) and the technimolecular dynamics simulation techniques. In contrast to ordinary KMC, our method allows for an estimation of a true lower limit for the time scale of a relaxation process. The scheme is fairly general in that neither the typical pathways nor the typical metastable states need to be known prior to the simulation. It is independent of the lattice type and the potential which describes the atomic interactions. It is adopted to study systems with structural and/or chemical inhomogeneity which makes it particularly useful for studying growth and diffusion processes in a variety of physical systems, including crystalline bulk, amorphous systems, surfaces with adsorbates, fluids, and interfaces. As a simple illustration we apply the locally activated Monte Carlo to study hydrogen diffusion in diamond.Peer reviewe

Prerequisites of inspection conditions for uniform post-mortem inspection in broiler chicken slaughterhouses in Finland

Meat inspection of broiler chickens (broiler) in the European Union is regulated by common legislation to secure meat safety. However, the legislation is general in nature and proper post-mortem inspection (PMI) of every carcass and visceral organs of broilers is challenging in slaughterhouses (SHs) with a high slaughter line speed. The aim of this study was to investigate the on-site organization and possible differences of the PMI in four Finnish SHs, which slaughter over 99% of broilers in Finland. Our results show that the meat inspector's available inspection time per broiler in the PMI varied between 0.28 and 0.90 s, with the shortest available inspection time in the SH with the highest slaughter line speed and the longest available inspection time in the SH with the slowest line speed. We observed that only part of the total inspection time per broiler could be used for true PMI in most (3/4) SHs, as the meat inspectors also performed other tasks during the PMI. We observed deficiencies in the visual inspection of broiler carcasses; in particular, the proper inspection of all or most of the body cavities was impossible in all SHs during the PMI. Some deficiencies in facilities (e.g. in recording system) were observed. Moreover, lighting properties varied between the SHs and a significant difference between illumination conditions at the first inspection stations in the SHs was observed. This study considered the prerequisites for proper PMI and revealed that the PMI of broilers was not completely uniform in Finland. The results emphasize the need for more precise guidelines and recommendations, especially for inspection time and lighting at inspection stations.Peer reviewe

A comparative analysis of meat inspection data as an information source of the health and welfare of broiler chickens based on Finnish data

The comprehensive, reliable, and comparable meat inspection (MI) data of broiler chickens (i.e. broilers) are essential for the monitoring and surveillance of broiler health and welfare at the national and European Union (EU) levels. We compared the condemnation causes issued to broiler carcasses during MI in four large Finnish broiler slaughterhouses (SHs) by investigating the similarities and differences between local MI instructions used in the SHs. The way in which MI condemnations were recorded in the Finnish Food Authority's (FFA's) MI statistics were also explored. We additionally analysed the FFA's official MI data from the 2015-2019 period. The study showed that the MI criteria used in the SHs differed from one another regarding how severe or extensive a broiler defect or disease must be to cause condemnation during MI. In Finland, the annual total condemnation prevalence of whole broilers varied between 2.6% and 4.8% in 2015-2019, and a significant difference was observed between the SHs' monthly total condemnation prevalences, except in two SH pairs. Mistakes in recording the FFA's MI statistics and differences in the SH operators' reasons to reject broilers from the food chain affect the comparability of the condemnation prevalences between the SHs. Only half of the SHs partially condemned broiler carcasses and collected data concerning these condemnations. Cellulitis (0.3-1.0%), ascites (0.3-0.4%), and body cavity disorders (0.2-0.3%) were the most common causes for condemning whole broiler carcasses in 2015-2019. The MI data can be used for monitoring and surveillance purposes only once the differences between the SH data and data reliability are known. Although the harmonization of all condemnation causes is impossible, harmonizing the condemnations of carcasses with diseases that most threaten broiler health and welfare and cause the largest economic losses would be important.Peer reviewe

Structures of Thermal Double Donors in Silicon

Accurate total-energy calculations are used to study the structures and formation energies of oxygen chains as models for thermal double donors (TDD's) in Si. We find that the first three TDD's (TDD0–TDD2) consist of one four-member ring, with one or two adjacent interstitial O atoms. These metastable TDD's form bistable negative-U systems with the corresponding stable, electrically inactive staggered structures. The TDD3-TDD7 structures are found to consist of four-member rings with adjacent interstitial O atoms at both ends. The TDD's with a central “di-Y-lid” core are found to become energetically competitive with the four-member ring TDD's only for clusters larger than ten O atoms.Peer reviewe

A 10-Year Retrospective Study of 490 Hip Fracture Patients: Reoperations, Direct Medical Costs, and Survival

Background and Aims: Reoperations after operative treatment of hip fracture patients may be associated with higher costs and inferior survival. We examined the acute hospital costs, long-term reoperation rates, and survival of patients with a new hip fracture. Materials and Methods: A total of 490 consecutive new hip fracture patients treated at a single center between 31 December 2004 and 6 December 2006 were analyzed retrospectively. Fractures were classified according to Garden and AO. All medical records were checked manually. The costs of reoperations were calculated using the diagnosis-related groups (DRG)-based prices. Survival analysis was performed using the life-table method. The follow-up time was 10 years. Results: In all, 70/490 patients (14.3%) needed reoperations. Of all reoperations, 34.2% were performed during the first month and 72.9% within 1 year after the primary operation. The hemiarthroplasty dislocation rate was 8.5%, and mechanical failures of osteosynthesis occurred in 6.2%. Alcohol abuse was associated with a heightened risk of reoperation. The mean direct costs of primary fracture care were lower than the mean costs of reoperations (euro7500 vs euro9800). The mortality rate at 10 years was 79.8% among non-reoperated patients and 62.9% among reoperated patients. Conclusions: According to our hypothesis, the cost per patient of reoperation in acute care was 31% higher than the corresponding cost of a primary operation. Reoperations increased the overall immediate costs of index fractures by nearly 20%. One-third of all reoperations were performed during the first month and almost 75% within 1 year after the primary operation.Peer reviewe

Growth of (110) Diamond using pure Dicarbon

We use a density-functional based tight-binding method to study diamond growth steps by depositing dicarbon species onto a hydrogen-free diamond (110) surface. Subsequent C_2 molecules are deposited on an initially clean surface, in the vicinity of a growing adsorbate cluster, and finally, near vacancies just before completion of a full new monolayer. The preferred growth stages arise from C_2n clusters in near ideal lattice positions forming zigzag chains running along the [-110] direction parallel to the surface. The adsorption energies are consistently exothermic by 8--10 eV per C_2, depending on the size of the cluster. The deposition barriers for these processes are in the range of 0.0--0.6 eV. For deposition sites above C_2n clusters the adsorption energies are smaller by 3 eV, but diffusion to more stable positions is feasible. We also perform simulations of the diffusion of C_2 molecules on the surface in the vicinity of existing adsorbate clusters using an augmented Lagrangian penalty method. We find migration barriers in excess of 3 eV on the clean surface, and 0.6--1.0 eV on top of graphene-like adsorbates. The barrier heights and pathways indicate that the growth from gaseous dicarbons proceeds either by direct adsorption onto clean sites or after migration on top of the existing C_2n chains.Comment: 8 Pages, 7 figure

Dexmedetomidine versus propofol/midazolam for long-term sedation during mechanical ventilation

Purpose: To compare dexmedetomidine (DEX) with standard care (SC, either propofol or midazolam) for long-term sedation in terms of maintaining target sedation and length of intensive care unit (ICU) stay. Methods: A pilot, phase III, double-blind multicenter study in randomized medical and surgical patients (n=85) within the first 72h of ICU stay with an expected ICU stay of ≥48h and sedation need for ≥24h after randomization. Patients were assigned to either DEX (≤1.4μgkg−1h−1; n=41) or SC (n=44), with daily sedation stops. Results: Non-inferiority of DEX versus SC was not confirmed. Target Richmond agitation-sedation score (RASS) was reached a median of 64% (DEX) and 63% (SC) of the sedation time (ns). The length of ICU stay was similar in DEX and SC. Patients with RASS target 0-3 (DEX 78%, SC 80%) were at target sedation 74% (DEX) and 64% (SC) of the time (ns), whereas those with RASS target −4 or less reached the target 42% (DEX) and 62% (SC) of the time (P=.006). Post hoc analyses suggested shorter duration of mechanical ventilation for DEX (P=0.025). Conclusions: This pilot study suggests that in long-term sedation, DEX is comparable to SC in maintaining sedation targets of RASS 0 to −3 but not suitable for deep sedation (RASS −4 or less). DEX had no effect on length of ICU stay. Its effects on other relevant clinical outcomes, such as duration of mechanical ventilation, should be tested furthe

A Missense Variant in the Bardet-Biedl Syndrome 2 Gene (BBS2) Leads to a Novel Syndromic Retinal Degeneration in the Shetland Sheepdog

Canine progressive retinal atrophy (PRA) describes a group of hereditary diseases characterized by photoreceptor cell death in the retina, leading to visual impairment. Despite the identification of multiple PRA-causing variants, extensive heterogeneity of PRA is observed across and within dog breeds, with many still genetically unsolved. This study sought to elucidate the causal variant for a distinct form of PRA in the Shetland sheepdog, using a whole-genome sequencing approach. Filtering variants from a single PRA-affected Shetland sheepdog genome compared to 176 genomes of other breeds identified a single nucleotide variant in exon 11 of the Bardet–Biedl syndrome-2 gene (BBS2) (c.1222G>C; p.Ala408Pro). Genotyping 1386 canids of 155 dog breeds, 15 cross breeds and 8 wolves indicated the c.1222G>C variant was only segregated within Shetland sheepdogs. Out of 505 Shetland sheepdogs, seven were homozygous for the variant. Clinical history and photographs for three homozygotes indicated the presence of a novel phenotype. In addition to PRA, additional clinical features in homozygous dogs support the discovery of a novel syndromic PRA in the breed. The development and utilization of a diagnostic DNA test aim to prevent the mutation from becoming more prevalent in the breed

A Missense Variant in the Bardet-Biedl Syndrome 2 Gene (BBS2) Leads to a Novel Syndromic Retinal Degeneration in the Shetland Sheepdog

Canine progressive retinal atrophy (PRA) describes a group of hereditary diseases characterized by photoreceptor cell death in the retina, leading to visual impairment. Despite the identification of multiple PRA-causing variants, extensive heterogeneity of PRA is observed across and within dog breeds, with many still genetically unsolved. This study sought to elucidate the causal variant for a distinct form of PRA in the Shetland sheepdog, using a whole-genome sequencing approach. Filtering variants from a single PRA-affected Shetland sheepdog genome compared to 176 genomes of other breeds identified a single nucleotide variant in exon 11 of the Bardet–Biedl syndrome-2 gene (BBS2) (c.1222G>C; p.Ala408Pro). Genotyping 1386 canids of 155 dog breeds, 15 cross breeds and 8 wolves indicated the c.1222G>C variant was only segregated within Shetland sheepdogs. Out of 505 Shetland sheepdogs, seven were homozygous for the variant. Clinical history and photographs for three homozygotes indicated the presence of a novel phenotype. In addition to PRA, additional clinical features in homozygous dogs support the discovery of a novel syndromic PRA in the breed. The development and utilization of a diagnostic DNA test aim to prevent the mutation from becoming more prevalent in the breed