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1.
J Comput Chem ; 45(14): 1143-1151, 2024 May 30.
Artigo em Inglês | MEDLINE | ID: mdl-38284556

RESUMO

Molecular simulations have become a key tool in molecular and materials design. Machine learning (ML)-based potential energy functions offer the prospect of simulating complex molecular systems efficiently at quantum chemical accuracy. In previous work, we have introduced the ML-based PairF-Net approach to neural network potentials, that adopts a pairwise interatomic scheme to predicting forces within a molecular system. Here, we further develop the PairF-Net model to intrinsically incorporate energy conservation and couple the model to a molecular mechanical (MM) environment within the OpenMM package. The updated PairF-Net model yields energy and force predictions and dynamical distributions in good agreement with the rMD17 dataset of ten small organic molecules in the gas-phase. We further show that these in vacuo ML models of small molecules can be applied to force predictions in aqueous solution via hybrid ML/MM simulations. We present a new benchmark dataset for these ten molecules in solution, obtained from QM/MM simulations, which we denote as rMD17-aq (https://zenodo.org/records/10048644); and assess the ability of PairF-Net to reproduce the molecular energy, atomic forces and dynamical distributions of these solution conformations via ML/MM simulations.

2.
Inorg Chem ; 62(6): 2672-2679, 2023 Feb 13.
Artigo em Inglês | MEDLINE | ID: mdl-36716284

RESUMO

Following electrospray ionization, it is common for analytes to enter the gas phase accompanied by a charge-carrying ion, and in most cases, this addition is required to enable detection in the mass spectrometer. These small charge carriers may not be influential in solution but can markedly tune the analyte properties in the gas phase. Therefore, measuring their relative influence on the target molecule can assist our understanding of the structure and stability of the analyte. As the formed adducts are usually distinguishable by their mass, differences in the behavior of the analyte resulting from these added species (e.g., structure, stability, and conformational dynamics) can be easily extracted. Here, we use ion mobility mass spectrometry, supported by density functional theory, to investigate how charge carriers (H+, Na+, K+, and Cs+) as well as water influence the disassembly, stability, and conformational landscape of the homometallic ring [Cr8F8(O2CtBu)16] and the heterometallic rotaxanes [NH2RR'][Cr7MF8(O2CtBu)16], where M = MnII, FeII, CoII, NiII, CuII, ZnII, and CdII. The results yield new insights on their disassembly mechanisms and support previously reported trends in cavity size and transition metal properties, demonstrating the potential of adduct ion studies for characterizing metallosupramolecular complexes in general.

3.
Eur Arch Otorhinolaryngol ; 280(10): 4657-4664, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37354339

RESUMO

OBJECTIVES: Examination of lymph nodes is one of the most common indications for imaging in the head and neck region. The purpose of this study is to evaluate whether multispectral optoacoustic tomography can be used to observe chromophore differences between benign and malignant neck lymph nodes. MATERIALS AND METHODS: Proof-of-concept ex vivo study of resected cervical lymph nodes from 11 patients. The examination of lymph nodes included imaging with hybrid ultrasound and multispectral tomography system followed by spectral unmixing to separate signals from the endogenous chromophores water, lipid, hemoglobin and oxygenated hemoglobin; calculation of semi-quantitative parameters (total hemoglobin and relative oxygenation of hemoglobin). Comparison of the results from the hybrid measurement with the histopathological results. RESULTS: Most patients suffered from squamous cell carcinoma (n = 7), also metastasis from salivary gland adenocarcinoma and papillary thyroid carcinoma, were included. The comparison between benign cervical lymph nodes and metastases showed significant differences for the absorbers water, lipid, hemoglobin and oxygenated hemoglobin and total hemoglobin. CONCLUSIONS: Our ex vivo study suggests that multispectral optoacoustic tomography can be used to detect differences between reactive lymph nodes and metastases. The measurement of endogenous chromophores can be used for this purpose. The examinations are non-invasively and thus potentially improve diagnostic prediction. However, potential influences from the ex vivo setting must be considered.


Assuntos
Linfonodos , Neoplasias da Glândula Tireoide , Humanos , Linfonodos/diagnóstico por imagem , Linfonodos/patologia , Tomografia/métodos , Neoplasias da Glândula Tireoide/diagnóstico por imagem , Neoplasias da Glândula Tireoide/cirurgia , Neoplasias da Glândula Tireoide/patologia , Hemoglobinas , Lipídeos
4.
Vet Surg ; 52(6): 790-800, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37592746

RESUMO

OBJECTIVE: To summarize the current peer-reviewed publications on minimally invasive surgery (MIS) for medial coronoid process disease (MCPD) in dogs. STUDY DESIGN: Invited review. METHODS: Pubmed, CAB Abstracts and Scopus databases were utilized for literature review (1990-2023). RESULTS: More than 60 papers have been published that involve MIS evaluation or treatment of MCPD. Six prospective trials incorporated quantitative gait analysis evaluating outcome following MCPD debridement, of which three included a control group. Whilst case numbers were limited, all studies employing a control group failed to demonstrate superiority of surgery over nonsurgical management. Of three studies employing gait analysis and no control group, all documented some improvement in function compared to pretreatment lameness. Multiple studies document progression of osteoarthritis in dogs following MCPD debridement although this may not be synonymous with worsened function. Subtotal coronoid osteotomy (SCO) is described as an alternative to MCP fragment removal, although the long-term biomechanical consequences are currently unclear and quantitative data on the efficacy of this treatment in isolation for MCPD is awaited. CONCLUSION: Arthroscopy of the canine elbow joint is a safe means by which to evaluate MCP pathology. Quantitative longitudinal analysis of outcome following minimally invasive surgery for MCPD is required. Correlation with clearly defined subclassification inclusion criteria such as age, incongruity and the precise arthroscopic findings in each case are required to more accurately differentiate any superiority of surgery over nonsurgical management for this disease.


Assuntos
Articulação do Cotovelo , Animais , Cães , Estudos Prospectivos , Procedimentos Cirúrgicos Minimamente Invasivos/veterinária , Artroscopia/veterinária , Epífises
5.
Vet Surg ; 52(3): 446-459, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-36056889

RESUMO

OBJECTIVE: To design a precontoured plating system for humeral condylar fracture repair in spaniels with humeral intracondylar fissure (HIF) and quantify accuracy of fit of the system on 3D printed bone models. STUDY DESIGN: Experimental on 3D printed models. METHODS: The plating system was based on morphometric data obtained from CT. Plates were applied to models and impression material was measured under the plates at points of interest to define plate bone gap (PBG). Data on locking screw interference on plate application were also obtained. RESULTS: Eleven elbows models were plated. Statistical analysis to assess for any difference in PBG measurements between left and right humuri revealed two loci (3 and 17) under the lateral plate and two loci (3 and 17) under the medial plate. On cumulate portion analysis, 67% of lateral plate loci and 80% of medial plate loci had a PBG of ≤2 mm respectively. An incidence of 2.1% (3/143) screw interference occurred. CONCLUSION: Design of a contoured plating system for application to humeral models from spaniels with HIF and its application with objective measurement of PBG is described. The majority of the loci measured under both lateral and medial plates had a BPG of ≤2 mm and the incidence of locking screw interference on plate application was low. CLINICAL SIGNIFICANCE: This novel system may have application for the stabilization of humeral condylar fractures in spaniels avoiding the need for plate contouring and minimizing the incidence of locking screw interference.


Assuntos
Doenças do Cão , Fraturas do Úmero , Cães , Animais , Fixação Interna de Fraturas/veterinária , Úmero/cirurgia , Fraturas do Úmero/cirurgia , Fraturas do Úmero/veterinária , Epífises , Placas Ósseas/veterinária
6.
J Am Chem Soc ; 144(49): 22528-22539, 2022 12 14.
Artigo em Inglês | MEDLINE | ID: mdl-36459680

RESUMO

Understanding the fundamental reactivity of polymetallic complexes is challenging due to the complexity of their structures with many possible bond breaking and forming processes. Here, we apply ion mobility mass spectrometry coupled with density functional theory to investigate the disassembly mechanisms and energetics of a family of heterometallic rings and rotaxanes with the general formula [NH2RR'][Cr7MF8(O2CtBu)16] with M = MnII, FeII, CoII, NiII, CuII, ZnII, CdII. Our results show that their stability can be tuned both by altering the d-metal composition in the macrocycle and by the end groups of the secondary ammonium cation [NH2RR']+. Ion mobility probes the conformational landscape of the disassembly process from intact complex to structurally distinct isobaric fragments, providing unique insights to how a given divalent metal tunes the structural dynamics.


Assuntos
Rotaxanos , Metais/química , Conformação Molecular , Cátions Bivalentes
7.
Antimicrob Agents Chemother ; 66(11): e0070822, 2022 11 15.
Artigo em Inglês | MEDLINE | ID: mdl-36226972

RESUMO

Burkholderia pseudomallei is the causative agent of melioidosis and presents with diverse clinical manifestations. Naturally occurring infection occurs following contamination of cuts or skin abrasions, or ingestion of contaminated water, and occasionally through inhalational of infected soil or water particles. The influence of the route of disease acquisition on the efficacy of medical countermeasures has not been explored in humans or in appropriate animal models. The efficacy of co-trimoxazole against melioidosis acquired by different routes of exposure was assessed in postexposure prophylaxis (PEP) and treatment studies in marmoset models of melioidosis. Following challenge with B. pseudomallei by the inhalational, subcutaneous, or ingestion routes of administration, animals were given co-trimoxazole at 12 hourly intervals for 14 days, starting either 6 h postchallenge or at the onset of fever. Animals were then observed for 28 days. All animals that received antibiotic 6 h postchallenge survived the duration of dosing. All animals that received antibiotics at the onset of fever completed the treatment, but 10%, 57%, and 60% of those with ingestion, subcutaneous, and inhalation challenge relapsed, respectively. Bacteriological and histological differences were observed between placebo-control animals and those that relapsed. Immunological profiles indicate difference between animals given placebo and those that relapsed or survived the duration of the study. A broad T-cell activation was observed in animals that survived. Overall, these data suggest the efficacy of co-trimoxazole, as measured in the incidence of relapse, differs depending on the disease-acquisition route. Therefore, there are implications in treating this disease in regions of endemicity.


Assuntos
Burkholderia pseudomallei , Melioidose , Humanos , Animais , Melioidose/tratamento farmacológico , Combinação Trimetoprima e Sulfametoxazol/uso terapêutico , Antibacterianos/uso terapêutico , Água , Modelos Animais de Doenças
8.
Inorg Chem ; 60(24): 18832-18842, 2021 Dec 20.
Artigo em Inglês | MEDLINE | ID: mdl-34847326

RESUMO

Among the linear actinyl(VI/V) cations, the uranyl(V) species are particularly intriguing because they are unstable and exhibit a unique behavior to undergo H+ promoted disproportionation in aqueous solution and form stable uranyl(VI) and U(IV) complexes. This study uses density functional theory (DFT) combined with the conductor-like polarizable continuum model approach to investigate [UO2]2+/+ to [UIVO2] reduction free energies (RFEs) and explores the stability of uranyl(V) complexes in aqueous solution through computing disproportionation free energies (DFEs) for an outer-sphere electron transfer process. In addition to the aqua complex (U1), another three commonly encountered ligands such as chloride (U2), acetate (U3), and carbonate (U4) in aqueous environmental conditions are taken into account. For the U1 complex, the computed 1e- (V/IV) and 2e- (VI/IV) RFEs are in good agreement with experiments. The computed DFEs reveal that the presence of H+ is imperative for the disproportionation to take place. Although the presence of the alkali cations favors the disproportionation to some extent, they cannot fully make the reaction thermodynamically feasible. For the anionic complexes, the high negative charge does not allow for the formation of a cation-cation encounter complex due to Coulombic repulsion. Furthermore, an additional factor is the ligand exchange reaction which is also an energy-demanding step. Therefore, the current study examined the Kern-Orlemann mechanism and our results validate the mechanism based on DFT computed DFEs and propose that for the anionic complexes, an outer-sphere electron transfer is highly probable and our computed protonation free energies further support this claim.

9.
J Am Chem Soc ; 142(37): 15941-15949, 2020 09 16.
Artigo em Inglês | MEDLINE | ID: mdl-32820906

RESUMO

The synthesis, structures, and properties of [4]- and [3]-rotaxane complexes are reported where [2]-rotaxanes, formed from heterometallic {Cr7Ni} rings, are bound to a fluoride-centered {CrNi2} triangle. The compounds have been characterized by single-crystal X-ray diffraction and have the formulas [CrNi2(F)(O2CtBu)6]{(BH)[Cr7NiF8(O2CtBu)16]}3 (3) and [CrNi2(F)(O2CtBu)6(THF)]{(BH)[Cr7NiF8(O2CtBu)16]}2 (4), where B = py-CH2CH2NHCH2C6H4SCH3. The [4]-rotaxane 3 is an isosceles triangle of three [2]-rotaxanes bound to the central triangle while the [3]-rotaxane 4 contains only two [2]-rotaxanes bound to the central triangle. Studies of the behavior of 3 and 4 in solution by small-angle X-ray scattering and atomistic molecular dynamic simulations show that the structure of 3 is similar to that found in the crystal but that 4 has a different conformation to the crystal. Continuous wave and pulsed electron paramagnetic resonance spectroscopy was used to study the structures present and demonstrate that in frozen solutions (at 5 K) 4 forms more extended molecules than 3 and with a wider range of conformations.

10.
Can Vet J ; 61(10): 1073-1079, 2020 10.
Artigo em Inglês | MEDLINE | ID: mdl-33012823

RESUMO

Signalment, clinical features, fixation techniques, complications, and outcome for dogs presenting with distal diaphyseal and supracondylar femoral fractures were retrospectively reviewed. A total of 45 dogs with unilateral femoral fractures were included. Supracondylar femoral plates were the most popular method of fixation. However, various fixation techniques resulted in favorable outcomes in most dogs with 19/45 cases achieving full function and 22/45 achieving acceptable function. Degree of fracture comminution did not appear to affect complication rate or be a surrogate for worse clinical outcome.


Résultats de stabilisation chirurgicale de fractures fémorales diaphysaires distales et supracondylaires chez le chien. Une étude rétrospective portant sur le signalement, la présentation clinique, les techniques de réduction de fracture, les complications et les résultats de chiens atteints de fractures fémorales supracondyliennes et diaphysaires distales a été réalisée. Quarante-cinq chiens présentant une fracture fémorale unilatérale ont été inclus au total. Les plaques fémorales supracondyliennes représentaient la méthode d'ostéosynthèse la plus courante. Diverses techniques de fixation ont abouti à des résultats favorables dans la majorité des cas, avec 19/45 cas récupérant une fonction complète et 22/45 une fonction considérée acceptable. Le degré de comminution de la fracture n'apparaissait pas comme étant un facteur de risque de complication ou étant associé à des résultats défavorables.(Traduit par Emilie Fauchon et Emilie Hanot).


Assuntos
Doenças do Cão , Fraturas do Fêmur , Animais , Placas Ósseas/veterinária , Doenças do Cão/cirurgia , Cães , Fraturas do Fêmur/cirurgia , Fraturas do Fêmur/veterinária , Fixação Interna de Fraturas/veterinária , Estudos Retrospectivos , Resultado do Tratamento
11.
Chemphyschem ; 20(14): 1869-1878, 2019 Jul 16.
Artigo em Inglês | MEDLINE | ID: mdl-31063234

RESUMO

Computational methods have been applied to understand the reduction potentials of [UO2 -salmnt-L] complexes (L=pyridine, DMSO, DMF and TPPO), and their redox behavior is compared with previous experiments in dichloromethane solution. Since the experimental results were inconclusive regarding the influence of the uranyl-bound tetra-dentate 'salmnt' ligand, here we will show that salmnt acts as a redox-active ligand and exhibits non-innocent behavior to interfere with the otherwise expected one-electron metal (U) reduction. We have employed two approaches to determine the uranyl (VI/V) reduction potentials, using a direct study of one-electron reduction processes and an estimation of the overall reduction using isodesmic reactions. Hybrid density functional theory (DFT) methods were combined with the Conductor-like Polarizable Continuum Model (CPCM) to account for solvation effects. The computationally predicted one-electron reduction potentials for the range of [UO2 -salmnt-L] complexes are in excellent agreement with shoulder peaks (∼1.4 eV) observed in the cyclic voltammetry experiments and clearly correlate with ligand reduction. Highly conjugated pi-bonds stabilize the ligand based delocalized orbital relative to the localized U f-orbitals, and as a consequence, the ligand traps the incoming electron. A second reduction step results in metal U(VI) to U(V) reduction, in good agreement with the experimentally assigned uranyl (VI/V) reduction potentials.

12.
Phys Chem Chem Phys ; 21(6): 3227-3241, 2019 Feb 06.
Artigo em Inglês | MEDLINE | ID: mdl-30681090

RESUMO

Of particular interest within the +6 uranium complexes is the linear uranyl(vi) cation and it forms numerous coordination complexes in solution and exhibits incongruent redox behavior depending on coordinating ligands. In this study, to determine the reduction potentials of uranyl complexes in non-aqueous solutions, a hybrid density functional theory (DFT) approach was used in which two different DFT functionals, B3LYP and M06, were applied. Bulk solvent effects were invoked through the conductor-like polarizable continuum model. The solute cavities were described with the united-atom Kohn-Sham (UAKS) cavity definition. Inside the cavity the dielectric constant matches the value of a vacuum and outside the cavity the dielectric constant value is the same as that of the solvent of interest, for example, dimethyl sulfoxide (DMSO), dimethylformamide (DMF), dichloromethane (DCM), acetonitrile and pyridine. With the help of the Nernst equation the calculated reduction potentials with respect to the ferrocene (Fc) reference electrode are converted into reduction free energies (RFEs). Uranyl complexes of organic ligands which range from mono- to hexa-dentate coordination modes were investigated in non-aqueous solutions of DMSO, DMF, DCM, acetonitrile and pyridine solutions. The effect of the spin-orbit correction and the reference electrode correction on the RFEs and various methods such as the direct method and the isodesmic reaction model were explored. Overall, our computational determination of RFEs of uranyl complexes in various non-aqueous solutions demonstrates that the RFEs can be obtained within ∼0.2 eV of experimental values.

13.
Vet Surg ; 48(1): 50-56, 2019 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-30378137

RESUMO

OBJECTIVE: To determine whether the surgeon can influence the accuracy of milling during the TATE elbow arthroplasty by applying force to the milling arm during the milling procedure. STUDY DESIGN: In vitro study on Sawbone specimens. SAMPLE POPULATION: Thirty identical solid foam models of the canine right humerus, elbow joint, and antebrachium (size large). METHODS: TATE elbow arthroplasty was performed on 30 elbows equally divided into 3 types of forces applied to the milling arm: (1) no force, (2) a maximally converging force, and (3) a maximally diverging force using the center of rotation post as a reference point. The resulting component-bone interface and post fit were quantified with digital photography. RESULTS: The component-bone interface gap differed between techniques for most angles. The application of convergent or divergent milling forces frequently increased the component-bone interface gap. Post fit was also influenced by the milling technique, application of a convergent or divergent milling force affecting the fit of multiple posts. Interface gaps tended to be greater on the lateral aspect, an area that is not visible to the surgeon intraoperatively. CONCLUSION: In this bone model study, application of convergent or divergent forces during milling frequently resulted in greater component-bone interface gaps and poorer post fit than when a neutral position was maintained. CLINICAL SIGNIFICANCE: Surgeons may affect implant fit within the constraints of the current arthroplasty system if they do not maintain a neutral position during milling. Greater component-bone interface gaps and poorer post fit may affect component osseointegration and lead to aseptic implant loosening.


Assuntos
Artroplastia de Substituição do Cotovelo/veterinária , Doenças do Cão/cirurgia , Articulação do Cotovelo/cirurgia , Animais , Artroplastia de Substituição do Cotovelo/métodos , Fenômenos Biomecânicos , Cães , Articulação do Cotovelo/fisiologia
14.
Vet Surg ; 45(5): 642-50, 2016 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-27357274

RESUMO

OBJECTIVE: To verify the ability of a novel Canine Elbow Realignment Osteotomy (CERO) system for acute axial radial or ulnar lengthening to restore normal elbow congruency in a shortened radius cadaver model using assessment by computed tomography (CT). STUDY DESIGN: In vitro cadaver study. ANIMALS: Five pairs of greyhound forelimbs from animals euthanatized for reasons unrelated to the study. METHODS: CT of each elbow was performed (1) pre-operatively (pre-op), (2) after placement of a linear motor IMEX™ external skeletal fixator (ESF) on the radius with diaphyseal ostectomy and radial shorting of 1-5 mm (post-ESF), and (3) after CERO surgery to lengthen the radius proximal to the ostectomy site by an amount equal to the degree of radial shortening (post-CERO). The joint space at 7 loci on dorsal plane and 6 loci on sagittal plane reconstructions was measured to assess changes in joint congruity between pre-op, post-ESF, and post-CERO. Repeated measures ANOVA with post hoc comparisons were performed to compare measurements between the 3 groups. RESULTS: Mean joint space measurements at most loci in the dorsal and sagittal planes were significantly different post-ESF compared with pre-op, confirming development of joint incongruency with the model. Post-CERO joint space measurements did not differ significantly compared with pre-op measurements, demonstrating the return to normal joint congruency using the CERO procedure. CONCLUSION: CERO surgery restored humeroradioulnar congruency in our cadaver model and may have application for acute correction of axial radial or ulnar incongruency in canine elbows secondary to elbow dysplasia or premature growth plate closure.


Assuntos
Cães/cirurgia , Membro Anterior/cirurgia , Osteotomia/veterinária , Animais , Cadáver , Articulações/cirurgia , Osteotomia/métodos
15.
Vet Surg ; 45(6): 709-14, 2016 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-27412490

RESUMO

OBJECTIVE: To determine whether use of colored indicator gloves affects perforation detection rate and to identify risk factors for glove perforation during veterinary orthopedic surgery. STUDY DESIGN: Prospective randomized controlled trial. SAMPLE POPULATION: 574 double pairs of gloves worn during 300 orthopedic surgical procedures (2,296 gloves). METHODS: Primary and assistant surgeons double-gloved for all orthopedic surgical procedures. Type of inner glove (standard or colored indicator) was randomized for the first 360 double pairs of gloves worn by surgeons during 180 procedures. Perforations detected by surgeons were recorded and gloves changed if requested. For a further 120 procedures, indicator gloves were used exclusively. All gloves were leak-tested after surgery to identify perforations. Association between potential risk factors and perforation was explored using multivariate logistical regression analysis. RESULTS: Glove perforations occurred during 43% of surgeries with a mean of 2.3 holes/surgery. Inner gloves were intact in 63% of glove pairs where an outer perforation occurred. Intraoperative perforation detection was improved when colored indicator gloves were worn (83% sensitivity) vs. standard gloves (34% sensitivity; P<.001). Independent risk factors for perforation were placement of plates and/or screws (P=.001; OR=2.4; 95% CI, 1.4-4.0), placement of an external skeletal fixator (P=.002; OR=7.0; 95% CI, 2.1-23.8), use of orthopedic wire (P=.011; OR=2.4; 95% CI, 1.2-4.7), and primary surgeon being board-certified (P=.016; OR=1.9; 95% CI, 1.1-3.1). CONCLUSION: Increased surgeon recognition of glove perforations through use of colored indicator gloves enables prompt change of gloves if perforation occurs and may reduce potential contamination of the surgical site.


Assuntos
Luvas Cirúrgicas , Procedimentos Ortopédicos/veterinária , Cirurgia Veterinária , Animais , Infecção Hospitalar/prevenção & controle , Falha de Equipamento , Humanos , Transmissão de Doença Infecciosa do Paciente para o Profissional/prevenção & controle , Transmissão de Doença Infecciosa do Profissional para o Paciente/prevenção & controle , Ortopedia , Complicações Pós-Operatórias/prevenção & controle , Estudos Prospectivos , Cirurgiões
16.
Vet Surg ; 45(6): 726-35, 2016 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-27381167

RESUMO

OBJECTIVE: To report the long-term radiographic and clinical outcome of the BioMedtrix TATE elbow arthroplasty system in dogs. Assessment was via radiographs, a surgeon-based questionnaire, and owner assessment of outcome using the Liverpool osteoarthritis in dogs (LOAD) and canine brief pain inventory (CBPI) questionnaires. STUDY DESIGN: Retrospective multicenter, case series. ANIMALS: Client-owned dogs undergoing TATE elbow arthroplasty. METHODS: Questionnaires were distributed to surgeons in the United Kingdom performing TATE elbow arthroplasty and to the owners of the dogs operated on. Owners completed the LOAD and CBPI questionnaires. All completed questionnaires from surgeons and owners, and radiographs of the dogs were collated and analyzed. RESULTS: Surgeon questionnaires and radiographs were obtained for 33 elbows from 32 dogs, with owner questionnaires obtained for 19 dogs. Perioperative, short-term, and mid-term complication rates were 60%, 15%, and 15%, respectively. Radiographic assessment of component alignment showed 62% of cartridges were valgus or varus malaligned and 56% of cartridges were either translated medially or laterally relative to the long axis of the ulnar. There was no significant association between component alignment and final clinical outcome. Surgeon assessment reported 24% of dogs to have full, 52% acceptable, and 24% unacceptable outcome. Owner assessment showed significant decreases in pain severity and pain interference from preoperative to final status but no change in mobility scores. CONCLUSIONS: A high complication rate and variability in component placement was recorded with TATE athroplasty. However, component malalignment did not negatively impact clinical outcome. Final clinical outcome was favorable for most cases with significant reductions in pain severity and interference scores despite no changes in mobility scores.


Assuntos
Artroplastia/veterinária , Doenças do Cão/cirurgia , Prótese de Cotovelo/veterinária , Osteoartrite/veterinária , Animais , Cães , Feminino , Membro Anterior/cirurgia , Masculino , Osteoartrite/cirurgia , Estudos Retrospectivos , Resultado do Tratamento
17.
PLoS Pathog ; 9(4): e1003301, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-23633950

RESUMO

Pathogen access to host nutrients in infected tissues is fundamental for pathogen growth and virulence, disease progression, and infection control. However, our understanding of this crucial process is still rather limited because of experimental and conceptual challenges. Here, we used proteomics, microbial genetics, competitive infections, and computational approaches to obtain a comprehensive overview of Salmonella nutrition and growth in a mouse typhoid fever model. The data revealed that Salmonella accessed an unexpectedly diverse set of at least 31 different host nutrients in infected tissues but the individual nutrients were available in only scarce amounts. Salmonella adapted to this situation by expressing versatile catabolic pathways to simultaneously exploit multiple host nutrients. A genome-scale computational model of Salmonella in vivo metabolism based on these data was fully consistent with independent large-scale experimental data on Salmonella enzyme quantities, and correctly predicted 92% of 738 reported experimental mutant virulence phenotypes, suggesting that our analysis provided a comprehensive overview of host nutrient supply, Salmonella metabolism, and Salmonella growth during infection. Comparison of metabolic networks of other pathogens suggested that complex host/pathogen nutritional interfaces are a common feature underlying many infectious diseases.


Assuntos
Salmonella enterica/patogenicidade , Febre Tifoide/microbiologia , Animais , Linhagem Celular , Modelos Animais de Doenças , Feminino , Interações Hospedeiro-Patógeno , Redes e Vias Metabólicas , Camundongos , Camundongos Endogâmicos BALB C , Proteômica , Salmonella enterica/genética , Salmonella enterica/metabolismo , Febre Tifoide/metabolismo
18.
Vet Surg ; 44(6): 763-71, 2015 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-25998685

RESUMO

OBJECTIVE: To measure the tensile force required for failure of the quadriceps mechanism with different tibial tuberosity widths and different degrees of rotation of the tibial plateau after radial osteotomy of the proximal tibia. STUDY DESIGN: Ex vivo study, randomized unblocked design ANIMALS: Thirty-five hind limbs from 18 adult Greyhound cadavers. METHODS: Part 1 (15 limbs)--The center of rotation of the proximal tibial radial osteotomy was advanced craniodistally, progressively reducing absolute tibial tuberosity width (ATTW) for 5 different widths. Part 2 (21 limbs)-Tibial plateau rotation was performed at a set ATTW. Rotation was varied as a function of tibial tuberosity position with rotation proximal, level with, or distal to the tuberosity. All 35 limbs were tested with force applied via the quadriceps mechanism until construct failure occurred. RESULTS: All but 2 limbs failed by fracture of the tibial tuberosity. The tensile force required for failure of the quadriceps mechanism increased linearly with increasing ATTW. Significantly less force (P = .016) was required for failure of the quadriceps mechanism when the rotation of the tibial plateau was distal to the level of the patella tendon (mean 1,877 N) compared to when it was above the level of the patella tendon (mean 2,533 N). Rotation of the tibial plateau distal to the level of the patella tendon insertion point resulted in fracture at the base of the tibial tuberosity, level with the tibial plateau buttress. CONCLUSION: The overwhelming mode of failure of the quadriceps mechanism was by tibial tuberosity fracture, thus this was the weakest part of the construct. Reducing the tibial tuberosity width and rotation of the tibial plateau segment below the patella tendon insertion decreased the force required for tibial tuberosity fracture. These results support the idea of a safe point with the tibial plateau segment providing buttress to the tibial tuberosity.


Assuntos
Cães/cirurgia , Articulação do Joelho/fisiologia , Osteotomia/veterinária , Músculo Quadríceps/fisiologia , Fraturas da Tíbia/cirurgia , Animais , Cadáver , Osteotomia/métodos , Rotação , Resistência à Tração
19.
Vet Surg ; 44(2): 180-90, 2015 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-25323017

RESUMO

OBJECTIVE: To quantify, using computed tomography (CT), cross-sectional ulnar bone density (UBD), and regional radial bone density (RRBD) at the level of the medial coronoid process (MCP) in elbows with and without medial coronoid process disease (MCPD) and with and without fragmentation of MCP (FCP). STUDY DESIGN: Retrospective clinical case-control and ex vivo study. SAMPLE POPULATION: Labrador Retriever elbows (n = 54) and normal cadaveric Greyhound elbows (11) undergoing elbow CT. MATERIALS AND METHODS: Labrador Retriever elbows were divided into 2 groups: (1) clinically unaffected and (2) MCPD-affected elbows. This 2nd group was subdivided based on the presence of a displaced FCP. UBD was measured linearly, in Hounsfield units (HU) across the widest part of the ulna incorporating the MCP. The radial head was divided into 6 zones, with mean RRBD (HU) calculated for each group. RESULTS: MCPD-affected Labrador Retriever elbows had significantly lower UBD within the MCP with a higher UBD in the cranial ulnar medulla. Lower RRBD was also seen in the radial head adjacent to the MCP in MCPD-affected Labrador Retriever elbows with FCP compared with Labrador Retriever elbows without FCP. Greyhounds had consistently lower RRBD and UBD at the apex of the MCP compared with clinically unaffected Labrador Retriever elbows. CONCLUSIONS: Our results suggest a caudolateral load-transfer shift through the ulna in MCPD-affected elbow joints, unloading the MCP. Changes in regional radial head bone density suggest that the radial head is involved in the pathogenesis of MCPD.


Assuntos
Doenças do Cão/diagnóstico por imagem , Artropatias/veterinária , Animais , Fenômenos Biomecânicos , Densidade Óssea , Cadáver , Estudos de Casos e Controles , Estudos Transversais , Cães , Feminino , Membro Anterior/diagnóstico por imagem , Artropatias/diagnóstico por imagem , Masculino , Linhagem , Rádio (Anatomia)/diagnóstico por imagem , Estudos Retrospectivos , Índice de Gravidade de Doença , Tomografia Computadorizada por Raios X/métodos , Tomografia Computadorizada por Raios X/veterinária , Ulna/diagnóstico por imagem
20.
Vet Surg ; 44(1): 78-84, 2015 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-24909882

RESUMO

OBJECTIVE: To (1) investigate the use of K-wires as alignment aids for cranial closing wedge ostectomy (CCWO) and (2) evaluate their effect on osteotomy accuracy and angular/rotational alignment. STUDY DESIGN: Cadaveric study. ANIMALS: Cadaveric pelvic limbs (n = 20). METHODS: CCWO was performed with and without alignment aids on 20 cadaveric pelvic limbs. CT scans were performed pre- and post-operatively to evaluate tibial torsion and valgus/varus deformity. Digital photographs of the ostectomized bone wedges were used to assess divergence of the 2 osteotomies, and the area of the medial and lateral aspects measured to assess osteotomy angulation within the dorsal plane. RESULTS: Osteotomy divergence angle, the difference between the area of the medial and lateral aspects of the ostectomized wedges, and the difference between the pre- and post-operative angles of valgus/varus deformity were all significantly smaller for the alignment aid group. The difference in pre- and post-operative tibial torsion was not significantly different between groups. CONCLUSIONS: K-wires can be used successfully as alignment aids during CCWO and help to create a significantly more orthogonal osteotomy. This allows a significant reduction in the difference between the preoperative and postoperative angles of valgus or varus, which may reduce the risk of developing a clinically important iatrogenically introduced valgus/varus deformity postoperatively.


Assuntos
Cães/cirurgia , Osteotomia/veterinária , Tíbia/cirurgia , Animais , Artroplastia do Joelho/veterinária , Cadáver , Modelos Animais , Complicações Pós-Operatórias , Amplitude de Movimento Articular
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