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1.
IEEE/ACM Trans Comput Biol Bioinform ; 20(2): 1327-1336, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-35417351

RESUMO

Enhancer, a distal cis-regulatory element controls gene expression. Experimental prediction of enhancer elements is time-consuming and expensive. Consequently, various inexpensive deep learning-based fast methods have been developed for predicting the enhancers and determining their strength. In this paper, we have proposed a two-stage deep learning-based framework leveraging DNA structural features, natural language processing, convolutional neural network, and long short-term memory to predict the enhancer elements accurately in the genomics data. In the first stage, we extracted the features from DNA sequence data by using three feature representation techniques viz., k-mer based feature extraction along with word2vector based interpretation of underlined patterns, one-hot encoding, and the DNAshape technique. In the second stage, strength of enhancers is predicted from the extracted features using a hybrid deep learning model. The method is capable of adapting itself to varying sizes of datasets. Also, as proposed model can capture long-range sequencing patterns, the robustness of the method remains unaffected against minor variations in the genomics sequence. The method outperforms the other state-of-the-art methods at both stages in terms of performance metrics of prediction accuracy, specificity, Mathew's correlation coefficient, and area under the ROC curve. In summary, the proposed method is a reliable method for enhancer prediction.


Assuntos
Benchmarking , DNA , Sequência de Bases , DNA/genética , Genômica , Processamento de Linguagem Natural , Elementos Facilitadores Genéticos/genética
2.
Dalton Trans ; 44(36): 15949-59, 2015 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-26282391

RESUMO

The syntheses and single crystal X-ray analyses of five strapped salicylaldoxime/salicylaldimine based dicopper(ii) receptors utilising a new piperazine linker are described. The complexes form 2 + 2 metallocycles and the molecular structures of all four complexes possess a small internal cavity with the utilisation of a short piperazine linker. The molecular structures of complexes [Cu2(L(4) - H)(L(4) - 2H) ⊂ DMF]BF4·DMF, and [Cu2(L(4) - H)2Br]Br·1.25DMSO·H2O·MeOH, show that intramolecular H-bonding interactions due to the presence of -OH (oxime moiety) groups lead to a Pacman-like cleft arrangement of the two metal coordinating subunits in the metallo-macrocycle. The geometrical constraints brought about by this constrained cleft make the receptor coordinate strongly to a bromide anion involving both metal centres as evidenced by whereas in the larger tetrafluroborate anion is excluded. Absence of the oxime moiety around the metal coordination site of the ligand as demonstrated in the complexes [Cu2(L(5))2BF4](BF4)3, and [Cu2(L(5))2Br]Br3·2MeOH, resulted in less constrained dicopper(ii) helicate forms. For these complexes no anion size discrimination was observed. The addition of pyridine solvent to a slightly modified piperazine-linked ligand produces an expanded 3 + 3 tube-like tricopper complex [Cu3(L(4a) - H)3Py3](BF4)2·(MeOH)3·PF6·(H2O)3, , with two coordinated pyridine molecules occupying the newly formed cavity.


Assuntos
Brometos/química , Cobre/química , Compostos Organometálicos/química , Oximas/química , Piperazinas/química , Ânions/química , Modelos Moleculares , Estrutura Molecular , Compostos Organometálicos/síntese química , Piperazina
3.
J Biosci Bioeng ; 117(4): 512-8, 2014 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-24239026

RESUMO

Changes in water status of developing grains of maize (Zea mays L.) grown under different nitrogen levels were characterized by nuclear magnetic resonance (NMR) spectroscopy. There were distinct changes in water status of grains due to the application of different levels of nitrogen (0, 120 and 180 kg N ha(-1)). A comparison of the grain developmental characteristics, composition and physical properties indicated that, not only the developmental characteristics like grain weight, grain number/ear, and rate of grain filling increased, but also bound water characterized by the T2 component of NMR relaxation increased with nitrogen application (50-70%) and developmental stages leading to maturation (10-60%). The consistency in the patterns of responses to free water and intermediate water to increasing levels of nitrogen application and grain maturity suggested that nitrogen application resulted in more proportion of water to both bound- and intermediate states and less in free state. These changes are further corroborated by the concomitant increases in protein and starch contents in grains from higher nitrogen treatments as macromolecules like protein and starch retain more amount of water in the bound state. The results of the changes in T2 showed that water status during grain development was not only affected by developmental processes but also by nitrogen supply to plants. This study strongly indicated a clear nutrient and developmental stage dependence of grain tissue water status in maize.


Assuntos
Nitrogênio/metabolismo , Água/análise , Zea mays/crescimento & desenvolvimento , Zea mays/metabolismo , Espectroscopia de Ressonância Magnética , Nitrogênio/farmacologia , Proteínas de Plantas/análise , Proteínas de Plantas/metabolismo , Amido/análise , Amido/metabolismo , Fatores de Tempo , Água/química , Água/metabolismo , Zea mays/química , Zea mays/efeitos dos fármacos
4.
Artigo em Inglês | MEDLINE | ID: mdl-24109275

RESUMO

In the title complex, [Cu(BF4)2(C5H5N)2], the Cu(II) ion is in an octa-hedral coordination environment and is surrounded by four pyridine and two tetra-fluoridoborate mol-ecules. The four pyridine mol-ecules are coordinated to the copper ion through their N atoms in the equatorial plane and display a right-handed screw arrangement around the Cu(II) ion. The remaining two trans positions in the octa-hedron are occupied by the BF4 (-) anions, each coordinating weakly through an F atom. The crystal packing shows a two-dimensional sheet structure parallel to the ab plane that is formed by C-H⋯F hydrogen-bonding inter-actions.

5.
Inorg Chem ; 52(16): 9327-37, 2013 Aug 19.
Artigo em Inglês | MEDLINE | ID: mdl-23927604

RESUMO

The synthesis and spectroscopic analysis of both "metal-only" and anion encapsulated salicylaldoxime-based complexes utilizing a new 1,3-xylyl strap are described. X-ray crystallographic analysis reveals that the aromatic spacer restricts the confirmation flexibility of the resulting complexes leading to dicopper(II) double helicate and dicopper(II) 2 + 2 "box" structural forms. The choice of the structural motif is influenced by the anion present, with the copper(II) nitrate-containing complex [NO3⊂(Cu2L(3)2)](NO3)3, 4, adopting a double helicate form, whereas the analogous copper(II) bromide complexes [2Br⊂(Cu2L(3)2)](Br)2, 5, and [2Br⊂(Cu2L(3)2)](BF4)2, 6, both adopt 2 + 2 "box" structural configurations. Spectroscopic analysis has shown an enhancement in the binding strength of ClO4(-) over the anions SO4(2-) and NO3(-). The enhanced rigidity caused by the use of the 1,3-xylyl spacer in this series of complexes has favored the formation of the "double loaded" dibromide complex.


Assuntos
Cobre/química , Compostos Organometálicos/química , Compostos Organometálicos/síntese química , Oximas/química , Ânions/química , Cristalografia por Raios X , Modelos Moleculares , Estrutura Molecular
6.
Chinese Journal of Traumatology ; (6): 314-315, 2013.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-358924

RESUMO

We report a rare case of periprosthetic posttraumatic fracture of subtrochanteric region of femur after a megaprosthesis of the knee, done for resistant nonunion of distal femur with secondary osteoarthrosis in a 51 years old man. Treatment with a locking femoral plate was able to achieve primary union with a good result.


Assuntos
Humanos , Masculino , Pessoa de Meia-Idade , Placas Ósseas , Fraturas do Fêmur , Prótese do Joelho , Osteoartrite , Cirurgia Geral , Complicações Pós-Operatórias
7.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 4): m512-3, 2012 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-22589864

RESUMO

The asymmetric unit of the title complex, [Co(C(5)H(5)N(3)O)(2)(H(2)O)(2)](NO(3))(2), contains one half of a Co(II) cationic unit and a nitrate anion. The entire [Co(C(5)H(5)N(3)O)(2)(H(2)O)(2)](2+) cationic unit is completed by the application of inversion symmetry at the Co(II) site, generating a six-coordinate distorted octa-hedral environment for the metal ion. The chelating pyrazine-2-carboxamide mol-ecules are bound to cobalt via N and O atoms, forming a square plane, while the remaining two trans positions in the octa-hedron are occupied by two coordinated water mol-ecules.

8.
Chinese Journal of Traumatology ; (6): 201-205, 2012.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-325795

RESUMO

<p><b>OBJECTIVE</b>Fractures of the capitellum and trochlea constitute less than 1% of all elbow fractures and a shear fracture involving the capitellum and extending medially into most of the trochlea is rarely reported. Type IV capitellum fracture is still controversial in regard to its radiographic appearance, surgical approach and osteosynthesis. We report 10 cases of type IV capitellum fracture with a view to elucidating its clinical features and treatment outcome.</p><p><b>METHODS</b>We treated 10 patients of type IV capitellum fracture with a mean age of 32 years. A uniform surgical approach and postoperative rehabilitation were followed.</p><p><b>RESULTS</b>Nine patients presented to us after a mean of 4 days of injury and one patient was nonunion after 6 months of injury who had been treated conservatively by a bone setter. Double arc sign was absent in 6 cases. Intraoperatively 6 capitellotrochlear fragments were devoid of soft tissue attachments. By Mayo Elbow Performance Score evaluation, 7 patients got excellent, 2 good and 1 fair results. One patient with associated elbow dislocation developed heterotopic ossification. There was no case of avascular necrosis, osteoarthrosis or fixation failures.</p><p><b>CONCLUSIONS</b>Type IV capitellum fractures are rare and belong to complex articular injuries. A good functional outcome can only be achieved with open reduction and stable internal fixation followed by early mobilization. Preoperative radiographic assessment and computed tomography help surgeons in choosing the right surgical approach and implants. Good surgical technique and stable internal fixation are the keys to early mobilization and good functional outcome.</p>


Assuntos
Adulto , Humanos , Articulação do Cotovelo , Ferimentos e Lesões , Fixação Interna de Fraturas , Fraturas Ósseas , Luxações Articulares , Resultado do Tratamento
9.
Dalton Trans ; 40(46): 12560-9, 2011 Dec 14.
Artigo em Inglês | MEDLINE | ID: mdl-21986896

RESUMO

Two similar synthetic pathways using the ligand N,N-diisobutylisonicotinamide (L) with anhydrous CoX(2) salts (being X = Cl(-), Br(-)) led to different species: a one-dimensional system, [CoLCl(2)](n), 1, and an ionic product [Co(L)(2)(H(2)O)(4)][CoLBr(3)](2)·2H(2)O, 2, respectively. Compound 1 is a polymer in which ligand L coordinates to tetrahedral Co(II) ions in a bidentate bridging fashion using the pyridine nitrogen and carbonyl oxygen atoms. Compound 2 consists of one octahedral cationic [Co(L)(2)(H(2)O)(4)](2+) entity and two tetrahedral anionic [CoLBr(3)](-) units. In this system, the ligand molecules coordinate only through the pyridine nitrogen atoms. The magnetic properties of 1 and 2 were investigated in the temperature range of 2.0 to 300.0 K and correlations between both (due to the existence of similar features) examined. The study of the magnetic properties of 1 was carried out by considering each Co(II) ion as a perfectly isolated system, hence, J = 0, but taking into account a significant zero-field splitting contribution due to distortions on the tetrahedral environment of the cobalt atoms. The fit of the magnetic susceptibility data together with reduced magnetization vs H/T measurements provided similar parameters (|D| = 10.8 cm(-1), g(⊥) = 1.92, g(‖) = 2.92 for the former and |D| = 11.04 cm(-1)and g = 2.05 for the latter, respectively). On the other hand, the magnetic response of compound 2 has been analyzed using a model which considers the presence of two tetrahedral and one octahedral Co(ii) ions (Co(Td) and Co(Oh)). The study was carried out in two separated blocks, above and below 80 K, where only the most significant effects at each interval of temperature were considered. As a result, the analysis of the magnetic data shows weak antiferromagnetic interactions between the Co(Oh)and the two Co(Td) ions (J = -0.41 cm(-1)) in 2. The best fit parameters were g(Co(Td)) = 2.89, g(Co(Oh)) = 3.50, |D(Co(Td))| = 10.62 cm(-1), |E(Co(Td))| = 2.95 cm(-1), Δ = 240.9 cm(-1) and J(L-S) = -107.1 cm(-1), from where λ was calculated with a final value of -144.8 cm(-1) (J(L-S) = Aκλ). The approximations performed to obtain these values provide reasonable results in agreement with compound 1 and also to other systems in the literature.

10.
Chinese Journal of Traumatology ; (6): 111-113, 2011.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-334617

RESUMO

A 45 year old woman was diagnosed as having anteromedial radial head dislocation and distal radius fracture five months after her injury on right forearm. The radial head dislocation led to ulnar nerve compression. She had severe restriction of her elbow movements. She was treated with arthrolysis, decompression of the ulnar nerve and radial head resection. The reverse Essex Lopresti injury and radial head dislocation compressing the ulnar nerve has not been reported in English language literature to the best of our knowledge. A mechanism is proposed for the injury. In acute presentations, restoration of both the radioulnar joints should be done and neglected nature of such injury leads to suboptimal outcomes.


Assuntos
Feminino , Humanos , Pessoa de Meia-Idade , Luxações Articulares , Rádio (Anatomia) , Ferimentos e Lesões , Fraturas do Rádio , Ulna , Ferimentos e Lesões , Síndromes de Compressão do Nervo Ulnar
11.
Chinese Journal of Traumatology ; (6): 143-146, 2011.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-334609

RESUMO

Isolated coronal fractures of femoral condyle are rare in adults and nonunion of Hoffa fracture is reported only a few times in the literature. We analyzed six cases of nonunion of Hoffa fractures over a period of three years. Three patients were treated conservatively and three patients had fixation failures. Delay of presentation was 2 months to one year. Treatment protocol consisted of open reduction, excision of pseudoarthrosis, bone grafting and internal fixation along with knee arthrolysis. Union was achieved in all patients at mean 16 weeks. The treatment of nonunion of Hoffa fractures requires careful preoperative planning and meticulous surgical technique. The literature regarding the controversies in fracture management and surgical technique are reviewed.


Assuntos
Adolescente , Adulto , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Fraturas do Fêmur , Cirurgia Geral , Fraturas não Consolidadas , Cirurgia Geral , Estudos Retrospectivos
12.
Chinese Journal of Traumatology ; (6): 221-226, 2011.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-334594

RESUMO

<p><b>OBJECTIVE</b>Monteggia fracture dislocation equivalent, though already described by Bado, is still an unclassified entity. We aimed to retrospectively analyze 18 cases of Monteggia variants and discuss the injury mechanisms, management, and outcome along with a review of the literature.</p><p><b>METHODS</b>A retrospective record of Monteggia fracture dislocation (2003-2008) was reviewed from medical record department of our institute. Classic Monteggia fracture dislocation, children below 12 years or adults over 50 years, as well as open grade II and III cases were excluded from this study. Monteggia variant inclusion criteria included fracture of the proximal ulna together with a fracture of the radial head or neck and skeletal maturity. Totally 26 patients were identified with Monteggia variants and 18 were available for follow-up, including 11 males and 7 females with the mean age of 35 years. The ulna fracture was treated by compression plating along with tension band wiring. Radial head/neck was reconstructed in 12 patients while excised in 6 patients.</p><p><b>RESULTS</b>Follow-up ranged from 1-4 years, mean 2.6 years. Patients were assessed clinicoradiologically. Mayo Elbow Performance Score was employed to assess the outcomes. At final follow-up, the results were excellent in 10 patients, good in 4, fair in 2 and poor in 2. Mean range of motion of the elbow was 20 degree 116 degree, 50 degree and 55 degree for extension, flexion, pronation and supination, respectively. Two patients had complications in the form of heterotopic ossification and stiffness of the elbow. One nonunion ulna, primarily treated by tension band wiring, was managed by refixation with locking reconstruction plate and bone grafting. Bone grafting was only required in this patient for nonunion. Another patient had implants removed on his request. The results in our series closely correlated with extent of intraarticular damage, coronoid fracture and comminuted fractures.</p><p><b>CONCLUSIONS</b>Monteggia fracture dislocation equivalents are rare injuries and pre-surgery recognition by radiographs and 3-D CT helps make optimal plan. The poor results usually relate to intraarticular damage, coronoid fractures and comminution of the ulna and radial head fractures.</p>


Assuntos
Humanos , Fixação Interna de Fraturas , Fratura de Monteggia , Estudos Retrospectivos , Resultado do Tratamento , Fraturas da Ulna
13.
Dalton Trans ; 39(34): 7951-9, 2010 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-20657942

RESUMO

Reaction of anhydrous CoCl(2) with N,N'-diisopropylisonicotinamide (L) has yielded a coordination polymer containing linear trinuclear [Co(3)L(4)Cl(6)] units with a rare, mixed Co(T(d))-Co(O(h))-Co(T(d)) assembly (compound 1). The central Co(II) ion, of each trinuclear entity, exhibits a distorted octahedral geometry, with two ligand molecules coordinating through their carbonyl oxygen atoms along with two bridging Cl(-) ions and two pyridine N atoms from the neighboring molecules. Also, in each unit, two outer Co(II) ions display distorted tetrahedral geometry, coordinating to one ligand molecule through the pyridine N atom and to three Cl(-) ions (one of them bridged to the central Co(II) and the two acting as a terminal ligands). The magnetic properties of this compound were investigated in the temperature range of 2.0 to 300.0 K. Owing to the complexity of the system and the weak interactions among trinuclear aggregates, the magnetic response has been analyzed using a model which considers these units as isolated systems. In addition, magnetic data has been examined in two separated blocks, above and below 50 K, applying programs VPMAG FORTRAN and MAGPACK-fit, respectively. This way, only the most significant effects at each interval of temperature were considered: spin-orbit coupling of the Co(O(h)), at high temperatures and zero-field splitting parameters of the Co(T(d)) at the low. Spin-spin magnetic interaction has been taken into account for the whole range of temperatures. As a result, the analysis of the magnetic data shows that, within every trinuclear unit, the central position matches well with a high-spin Co(II) (S = 3/2) and also reveals weak ferromagnetic interactions between the Co(O(h)) and the two terminal Co(T(d)) ions (J = +0.34 cm(-1)).

14.
Chinese Journal of Traumatology ; (6): 126-128, 2010.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-272933

RESUMO

Bilateral hip dislocation rarely occurs. In this paper, a case of bilateral hip dislocation associated with bilateral sciatic nerve palsy resulted from a road traffic accident is reported. Both hips were emergently reduced under general anaesthesia. Acetabular reconstruction was done bilaterally due to the unstable hips. The patient subsequently developed heterotopic ossification and avascular necrosis on the left hip and underwent total hip arthroplasty. The sciatic nerve on the right side achieved complete recovery but that on the left side only partly recovered and was augmented by tendon transfer. Such injuries are serious and one should be aware of the complications because they can resurface and so patients should be followed up for a long time. To the best of our knowledge, this kind of injury has not been reported in the English language literature.


Assuntos
Humanos , Masculino , Pessoa de Meia-Idade , Acidentes de Trânsito , Luxação do Quadril , Fraturas do Quadril , Osteonecrose , Nervo Isquiático , Ferimentos e Lesões , Neuropatia Ciática
15.
Chinese Journal of Traumatology ; (6): 247-249, 2010.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-272911

RESUMO

A 15 years old girl was found to have isolated trochlea fracture 10 weeks after an injury caused by a fall on her left elbow. Movement of the elbow was severely restricted. Radiographs showed a half moon-shaped and anterosuperiorly displaced osteochondral fragment. Medial approach capsulotomy of the elbow and excision of the intraarticular adhesions were done to expose the isolated trochlea fracture. Headless screws were used for fixation, combined with bone grafting. The follow-up showed union and excellent functional recovery of the elbow. Isolated trochlea fracture in adults is rare and usually associated with capitellar fractures and/or elbow dislocations. A neglected trochlea fracture is rarely reported in the English language literature to the best of our knowledge. Recognition of isolated trochlea fracture is vital to apprehend the pathomechanics of the injury and to devise a suitable treatment approach.


Assuntos
Adolescente , Feminino , Humanos , Articulação do Cotovelo , Diagnóstico por Imagem , Ferimentos e Lesões , Fixação Interna de Fraturas , Consolidação da Fratura , Fraturas do Úmero , Diagnóstico por Imagem , Cirurgia Geral , Radiografia
16.
Chinese Journal of Traumatology ; (6): 377-379, 2010.
Artigo em Inglês | WPRIM (Pacífico Ocidental) | ID: wpr-272884

RESUMO

A 35 years old female presented to us after falling from a height. She complained of a neck pain and a complete quadriplegia and was diagnosed as having spondyloptosis of the C6-C7. Skeletal traction was performed on her. CT scan showed fractures of the C5, C6, and C7 vertebral body. The patient underwent anterior approach partial corpectomy with anterior cervical locking plate and strut grafting from ipsilateral iliac crest. Intraoperatively it was found that the disc was completely ruptured and there was a dural tear and cerebrospinal fluid leak. Her postoperative period was complicated by cerebrospinal fluid collection and posterior instrumentation was not performed due to the poor general condition. She had no neural recovery at the last follow-up. Spondyloptosis is a severe and highly unstable injury with a three column ligamentous disruption and may be complicated, as in our case, with a dural tear. Management of these cases is fraught with complications, and prognosis for neural recovery is dismal.


Assuntos
Adulto , Feminino , Humanos , Imageamento por Ressonância Magnética , Espondilolistese , Diagnóstico , Cirurgia Geral
17.
Anim Reprod Sci ; 103(1-2): 164-71, 2008 Jan 15.
Artigo em Inglês | MEDLINE | ID: mdl-17537596

RESUMO

The present study was undertaken to evaluate the expression stability of two housekeeping genes (HKGs), 18S rRNA and G3PDH during in vitro maturation (IVM) of oocytes in buffalo, which qualifies their use as internal controls for valid qRT-PCR estimation of other oocyte transcripts. A semi quantitative RT-PCR system was used with optimised qRT-PCR parameters at exponential PCR cycle for evaluation of temporal expression pattern of these genes over 24 h of IVM. 18S rRNA was found more stable in its expression pattern than G3PDH.


Assuntos
Búfalos/fisiologia , Gliceraldeído 3-Fosfato Desidrogenase (NADP+)/biossíntese , Oócitos/fisiologia , Folículo Ovariano/fisiologia , RNA Ribossômico 18S/biossíntese , Animais , Búfalos/genética , Búfalos/metabolismo , Feminino , Expressão Gênica , Gliceraldeído 3-Fosfato Desidrogenase (NADP+)/genética , Oócitos/enzimologia , Folículo Ovariano/enzimologia , RNA Mensageiro/biossíntese , RNA Mensageiro/genética , RNA Ribossômico 18S/genética , Análise de Regressão , Reação em Cadeia da Polimerase Via Transcriptase Reversa/métodos
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