Synthesis and properties of anhydrous rare-earth phosphates, monazite and xenotime: a review.

The synthesis methods, crystal structures, and properties of anhydrous monazite and xenotime (REPO4) crystalline materials are summarized within this review. For both monazite and xenotime, currently available Inorganic Crystal Structure Database data were used to study the effects of incorporating different RE cations on the unit cell parameters, cell volumes, densities, and bond lengths. Domains of monazite-type and xenotime-type structures and other AXO4 compounds (A = RE; X = P, As, V) are discussed with respect to cation sizes. Reported chemical and radiation durabilities are summarized. Different synthesis conditions and chemicals used for single crystals and polycrystalline powders, as well as first-principles calculations of the structures and thermophysical properties of these minerals are also provided.

Utility of DTI (Diffusion Tensor Imaging) Metrics to Study Microstructural Changes of Trigeminal Nerve in Patients with Trigeminal Neuralgia (TN).

Aims: To study the trigeminal nerve tractography and assessment of diffusion tensor imaging (DTI) parameters by comparing the values of fractional anisotropy (FA) of trigeminal (V) nerve on the affected side with that of the unaffected opposite side. Materials and Methods: Prospective comparative study done for one year included 30 patients who presented with trigeminal neuralgia and 30 controls who did not have any present or past history of neurological or neurosurgical symptoms were enrolled in the study. Results: Most common age of presentation of TN is >50 years, and the commonly involved branch is V2 (maxillary branch of the trigeminal nerve). Most of the patients were having symptoms for more than 1 year. The superior cerebellar artery was the most common vessel compressing the V nerve at the root entry zone (REZ), followed in the order by anterior inferior cerebellar artery and petrosal vein. Neurovascular compression (NVC) was more commonly seen in the study group when compared with the control group. In all the patients in the study group, fractional anisotropy (FA) was decreased on the affected side as compared to the unaffected side. In the study group, 10 patients were having NVC on both sides, but FA was significantly decreased only on the affected side. No significant difference in FA values at the REZ of bilateral V nerves in the control group. Conclusion: DTI metrics of the trigeminal nerve is a very helpful imaging technique in patients with trigeminal neuralgia. It not only helps in anatomical imaging but also reinforces the association between NVC and TN.

Cooler canopy leverages sorghum adaptation to drought and heat stress.

In the present study, individual and combined effects of drought and heat stress were investigated on key physiological parameters (canopy temperature, membrane stability index, chlorophyll content, relative water content, and chlorophyll fluorescence) in two popular sorghum cultivars (Sorghum bicolor cvs. Phule Revati and Phule Vasudha) during the seedling stage. Estimating canopy temperature through pixel-wise analysis of thermal images of plants differentiated the stress responses of sorghum cultivars more effectively than the conventional way of recording canopy temperature. Cultivar difference in maintaining the canopy temperature was also responsible for much of the variation found in critical plant physiological parameters such as cell membrane stability, chlorophyll content, and chlorophyll fluorescence in plants exposed to stress. Hence, the combined stress of drought and heat was more adverse than their individual impacts. The continued loss of water coupled with high-temperature exposure exacerbated the adverse effect of stresses with a remarkable increase in canopy temperature. However, Phule Vasudha, being a drought-tolerant variety, was relatively less affected by the imposed stress conditions than Phule Revati. Besides, the methodology of measuring and reporting plant canopy temperature, which emerged from this study, can effectively differentiate the sorghum genotypes under the combined stress of drought and heat. It can help select promising genotypes among the breeding lines and integrating the concept in the protocol for precision water management in crops like sorghum.

OPTIMADE, an API for exchanging materials data.

The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification.

Morphometric Alterations of the Sphenoid Ostium and other Landmarks in Acromegaly: Anatomical Considerations and Implications in Endoscopic Pituitary Surgery.

BACKGROUND: The sphenoid ostium (SO) is an important landmark for the endoscopic surgeon. Changes in size and position of the SO and variations in other skull base landmarks in acromegalics have not been adequately evaluated. AIMS: The authors evaluated the morphometry and location of the SO and other landmarks in acromegaly and compared these findings with those in nonfunctioning pituitary adenomas (NFPAs). METHODS: In this retrospective case-control study, the dimensions and location of the SO and other skull base landmarks were radiologically evaluated in 18 patients with growth hormone (GH)-secreting adenomas. These findings were analyzed in relation to preoperative GH levels and compared with 18 age- and sex-matched controls with NFPAs. RESULTS: The dimensions of the SO were significantly larger in the GH-adenoma group (P < 0.05). The SO was further from the midline (P = 0.04) and closer to the sphenopalatine foramen (SPF) (P = 0.02) in the GH-adenoma group, and this finding correlated with increasing preoperative GH levels. Acromegalics demonstrated larger intracavernous carotid diameters (P = 0.05) and smaller intercarotid distances than the patients with NFPAs (P = 0.02). CONCLUSION: The SO is larger and located higher up in the sphenoid face and closer to the SPF in patients with GH adenomas. Increasing GH levels in these patients correlate with the upward and lateral displacement of the SO. These patients demonstrate larger intracavernous carotid diameters and smaller intercarotid distances than patients with NFPAs. These morphological alterations are of particular relevance to the pituitary surgeon.

The phase stability network of all inorganic materials.

One of the holy grails of materials science, unlocking structure-property relationships, has largely been pursued via bottom-up investigations of how the arrangement of atoms and interatomic bonding in a material determine its macroscopic behavior. Here, we consider a complementary approach, a top-down study of the organizational structure of networks of materials, based on the interaction between materials themselves. We unravel the complete "phase stability network of all inorganic materials" as a densely connected complex network of 21,000 thermodynamically stable compounds (nodes) interlinked by 41 million tie line (edges) defining their two-phase equilibria, as computed by high-throughput density functional theory. Analyzing the topology of this network of materials has the potential to uncover previously unidentified characteristics inaccessible from traditional atoms-to-materials paradigms. Using the connectivity of nodes in the phase stability network, we derive a rational, data-driven metric for material reactivity, the "nobility index," and quantitatively identify the noblest materials in nature.

Network analysis of synthesizable materials discovery.

Assessing the synthesizability of inorganic materials is a grand challenge for accelerating their discovery using computations. Synthesis of a material is a complex process that depends not only on its thermodynamic stability with respect to others, but also on factors from kinetics, to advances in synthesis techniques, to the availability of precursors. This complexity makes the development of a general theory or first-principles approach to synthesizability currently impractical. Here we show how an alternative pathway to predicting synthesizability emerges from the dynamics of the materials stability network: a scale-free network constructed by combining the convex free-energy surface of inorganic materials computed by high-throughput density functional theory and their experimental discovery timelines extracted from citations. The time-evolution of the underlying network properties allows us to use machine-learning to predict the likelihood that hypothetical, computer-generated materials will be amenable to successful experimental synthesis.

Interplay of cation and anion redox in Li4Mn2O5 cathode material and prediction of improved Li4(Mn,M)2O5 electrodes for Li-ion batteries.

Significant research effort has focused on improving the specific energy of lithium-ion batteries for emerging applications, such as electric vehicles. Recently, a rock salt-type Li4Mn2O5 cathode material with a large discharge capacity (~350 mA·hour g-1) was discovered. However, a full structural model of Li4Mn2O5 and its corresponding phase transformations, as well as the atomistic origins of the high capacity, warrants further investigation. We use first-principles density functional theory (DFT) calculations to investigate both the disordered rock salt-type Li4Mn2O5 structure and the ordered ground-state structure. The ionic ordering in the ground-state structure is determined via a DFT-based enumeration method. We use both the ordered and disordered structures to interrogate the delithiation process and find that it occurs via a three-step reaction pathway involving the complex interplay of cation and anion redox reactions: (i) an initial metal oxidation, Mn3+→Mn4+ (Li x Mn2O5, 4 > x > 2); (ii) followed by anion oxidation, O2-→O1- (2 > x > 1); and (iii) finally, further metal oxidation, Mn4+→Mn5+ (1 > x > 0). This final step is concomitant with the Mn migration from the original octahedral site to the adjacent tetrahedral site, introducing a kinetic barrier to reversible charge/discharge cycles. Armed with this knowledge of the charging process, we use high-throughput DFT calculations to study metal mixing in this compound, screening potential new materials for stability and kinetic reversibility. We predict that mixing with M = V and Cr in Li4(Mn,M)2O5 will produce new stable compounds with substantially improved electrochemical properties.

First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry.

Embedding a lithiated cobalt oxide spinel (Li2Co2O4, or LiCoO2) component or a nickel-substituted LiCo1- xNi xO2 analogue in structurally integrated cathodes such as xLi2MnO3·(1- x)LiM'O2 (M' = Ni/Co/Mn) has been recently proposed as an approach to advance the performance of lithium-ion batteries. Here, we first revisit the phase stability and electrochemical performance of LiCoO2 synthesized at different temperatures using density functional theory calculations. Consistent with previous studies, we find that the occurrence of low- and high-temperature structures (i.e., cubic lithiated spinel LT-LiCoO2; or Li2Co2O4 ( Fd3̅ m) vs trigonal-layered HT-LiCoO2 ( R3̅ m), respectively) can be explained by a small difference in the free energy between these two compounds. Additionally, the observed voltage profile of a Li/LiCoO2 cell for both cubic and trigonal phases of LiCoO2, as well as the migration barrier for lithium diffusion from an octahedral (Oh) site to a tetrahedral site (Td) in Fd3̅ m LT-Li1- xCoO2, has been calculated to help understand the complex electrochemical charge/discharge processes. A search of LiCo xM1- xO2 lithiated spinel (M = Ni or Mn) structures and compositions is conducted to extend the exploration of the chemical space of Li-Co-Mn-Ni-O electrode materials. We predict a new lithiated spinel material, LiNi0.8125Co0.1875O2 ( Fd3̅ m), with a composition close to that of commercial, layered LiNi0.8Co0.15Al0.05O2, which may have the potential for exploitation in structurally integrated, layered spinel cathodes for next-generation lithium-ion batteries.

Complications exclusive to long strut grafts used following multilevel cervical corpectomy: Utilization of advanced imaging techniques.

When surgical decompression of cervical spine is considered, multilevel cervical corpectomy with long strut grafts is the preferred treatment. This procedure is used in a variety of pathologies including degenerative disease, tumors, trauma and infection. Corpectomy with interbody grafting helps in adequate spinal canal and neural decompression compared to multilevel discectomy, which could be difficult as well as inadequate. Fibular/iliac strut grafts are used for reconstruction along with a stabilizing hardware in this procedure. So far, complete imaging spectrum of complications exclusive to strut graft has not been reported in the literature. This pictorial essay presents complications exclusive to the strut graft, utility of advanced imaging in diagnosis and a brief note on the clinical management of complications.

Pituitary apoplexy presenting as a peripheral rim enhancing parasellar mass lesion with dural enhancement along the tentorium.

Pituitary apoplexy is a potentially life-threatening clinical condition caused by rapid enlargement of a pituitary adenoma because of haemorrhage or infarction. The clinical features are typically acute in onset. We report an interesting case of 25-year-old man with complaints of sudden onset of headache and ophthalmoplegia in the right eye one month previously. He had ptosis and complete ophthalmoplegia in the right eye with visual acuity 6/24 and 6/12. Imaging showed a peripheral rim-enhancing mass lesion in the right parasellar and cavernous sinus with a dural tail. He underwent craniotomy and subtotal excision of the lesion. Histopathology was reported as pituitary apoplexy. Hormonal analysis was within normal limits. At two years of follow-up he had complete resolution of ophthalmoplegia and improvement in his vision. It is very uncommon to see pituitary apoplexy evolved in right parasellar region presenting as peripheral rim-enhancing mass lesion.

High-throughput computational design of cathode coatings for Li-ion batteries.

Cathode degradation is a key factor that limits the lifetime of Li-ion batteries. To identify functional coatings that can suppress this degradation, we present a high-throughput density functional theory based framework which consists of reaction models that describe thermodynamic and electrochemical stabilities, and acid-scavenging capabilities of materials. Screening more than 130,000 oxygen-bearing materials, we suggest physical and hydrofluoric-acid barrier coatings such as WO3, LiAl5O8 and ZrP2O7 and hydrofluoric-acid scavengers such as Sc2O3, Li2CaGeO4, LiBO2, Li3NbO4, Mg3(BO3)2 and Li2MgSiO4. Using a design strategy to find the thermodynamically optimal coatings for a cathode, we further present optimal hydrofluoric-acid scavengers such as Li2SrSiO4, Li2CaSiO4 and CaIn2O4 for the layered LiCoO2, and Li2GeO3, Li4NiTeO6 and Li2MnO3 for the spinel LiMn2O4 cathodes. These coating materials have the potential to prolong the cycle-life of Li-ion batteries and surpass the performance of common coatings based on conventional materials such as Al2O3, ZnO, MgO or ZrO2.

Ultralow Thermal Conductivity in Full Heusler Semiconductors.

Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X_{2}YZ, X=Ca, Sr, and Ba; Y=Au and Hg; Z=Sn, Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κ_{L} close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials.

Aggressive solitary intracranial metastatic malignant melanoma from a primary mediastinal tumour.

Malignant melanoma is the third most common tumour to cause cerebral metastases, following breast and lung cancer. Central nervous system metastases occur in 10-40% of patients with melanoma. Intracranial metastasis from a primary malignant melanoma of the anterior mediastinum is uncommon. We report a case of solitary intracranial metastatic melanoma arising from a primary mediastinal tumour. We then discuss the clinico-radiological features and treatment options.

Dengue encephalitis with predominant cerebellar involvement: report of eight cases with MR and CT imaging features.

OBJECTIVES: CNS dengue infection is a rare condition and the pattern of brain involvement has not been well described. We report the MR imaging (MRI) features in eight cases of dengue encephalitis. MATERIALS AND METHODS: We retrospectively searched cases of dengue encephalitis in which imaging was performed. Eight cases (three men, five women; age range: 8-42 years) diagnosed with dengue encephalitis were included in the study. MR studies were performed on 3-T and 1.5-T MR clinical systems. Two neuroradiologists retrospectively reviewed the MR images and analysed the type of lesions, as well as their distribution and imaging features. RESULTS: All eight cases exhibited MRI abnormalities and the cerebellum was involved in all cases. In addition, MRI signal changes were also noted in the brainstem, thalamus, basal ganglia, internal capsule, insula, mesial temporal lobe, and cortical and cerebral white matter. Areas of susceptibility, diffusion restriction, and patchy post-contrast enhancement were the salient imaging features in our cohort of cases. CONCLUSION: A pattern of symmetrical cerebellar involvement and presence of microbleeds/haemorrhage may serve as a useful imaging marker and may help in the diagnosis of dengue encephalitis.

Synthesis, characterization, photocatalysis, and varied properties of TiO2 cosubstituted with nitrogen and fluorine.

TiO2 (anatase) codoped with nitrogen and fluorine, synthesized by a simple solid state route, using urea and ammonium fluoride as sources of nitrogen and fluorine, respectively, as well as by decomposition of (NH4)2TiF6 for comparison, has been characterized by various techniques. XPS analysis shows the composition to be TiO1.7N0.18F0.12 for urea-based method (N, F-TiO2-urea) and TiO1.9N0.04F0.06 for complex decomposition method (N, F-TiO2-complex). Both the materials are defect-free as revealed by photoluminescence spectroscopy. Thus, N, F-TiO2-urea exhibits smaller defect-induced magnetization compared to the nitrogen-doped sample. Cosubstitution of N and F is accompanied with an enhancement of the absorption of light in the visible region giving rise to yellow color and with a band gap of ∼2.2 eV in the case of N, F-TiO2-urea. It exhibits enhanced photocatalytic activity and also significant hydrogen evolution (400 µmol/g) on interaction with visible light in the absence of any cocatalyst, which is much higher compared to N, F-TiO2-complex and N-TiO2. First-principles calculations show significant local distortions on codoping TiO2 with N and F and a lowering of energy by 1.93 eV per N, F pair. With virtual negative and positive charges on nitrogen and fluorine, respectively, the dopants prefer pairwise clustering. Our calculations predict a reduction in the band gap in TiO2 cosubstituted with nitrogen and fluorine. The calculated band structure shows that nitrogen 2p states form a separate subband just above the valence band which is enhanced on incorporation of fluorine. Our calculations also indicate anomalous Born effective charges in N, F-TiO2 and predict enhanced photocatalytic activity on codoping of TiO2 by N and F.

Severe form of radiculo - myelo - neuropathy with meningo - encephalitis secondary to Angiostrongylus cantonensis infection: unusual corpus callosal lesions and serial magnetic resonance imaging findings.

A 43-year-old man presented with the symptoms of recurrent lower abdominal pain, malaise and loss of appetite of 3-week duration, followed by acute onset of generalized paresthesias, fever and headache which progressed over few days to quadriparesis, altered sensorium, urinary and fecal incontinence. He had consumed raw tongue, liver, gall bladder and testicles of monitor lizard (Varanus bengalensis). Blood picture showed eosinophilia and cerebrospinal fluid (CSF) analysis revealed elevated protein and eosinophilia. Serum and CSF serology was positive for angiostrongyliasis. Magnetic resonance imaging showed focal hyperintense lesions in the corpus callosum and brainstem and an enhancing lesion in the cerebellum. Post-contrast T1-weighted axial images of spine showed evidence of cervical cord hyperintense lesions and root enhancement. Susceptibility weighted images/phase images showed unusual feature of multiple hemorrhagic lesions in the posterior fossa and supratentorial areas. Diffusion showed no restriction of corpus callosal lesions. Patient was treated with the high dose parenteral steroids with albendazole and at 6-month follow-up and had a remarkable recovery.