There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

Approaches, Derivatives and Applications Vasilios Georgakilas,† Michal Otyepka,‡ Athanasios B. Bourlinos,‡ Vimlesh Chandra, Namdong Kim, K. Christian Kemp, Pavel Hobza,‡,§,⊥ Radek Zboril,*,‡ and Kwang S. Kim* †Institute of Materials Science, NCSR “Demokritos”, Ag. Paraskevi Attikis, 15310 Athens, Greece ‡Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, 17. listopadu 12, 771 46 Olomouc, Czech Republic Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo naḿ. 2, 166 10 Prague 6, Czech Republic

Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

Aim: Adverse drug reaction (ADR) reporting and monitoring activities are of vital importance for patient safety. It is a predominant ubiquitous and preventable clinical issue. This study was conducted to assess the ADR reporting in various departments.
Methods: Standard ADR reporting forms were filled up by healthcare workers for patients from January 2020 to December 2021 for different departments. The causality appraisal of the ADRs was finished utilizing WHO-UMC causality evaluation scale. Seriousness of the recognized ADRs was evaluated at various levels, going somewhere in the range of 1–7 utilizing altered Hartwig-Siegel Scale.
Results: The frequency of ADRs was higher among females (60.4%) when contrasted with guys (39.6%). The causality appraisal of ADRs cases showed that 85.7% of ADRs were “likely” and 51.2% of patients were sorted as “moderate” on seriousness evaluation of ADRs. The further examination of ADRs cases showed that 36.4% of ADRs cases (79/217) were “medical admissions due to ADR” and 63.6% of ADRs cases (138/217) were “ADRs happened in hospitalized patients.”
Conclusion: This study finds that ADRs are frequent in this health center showing emergency clinic and this study would give an understanding into the example of ADRs in a tertiary medical services place and may assist with expanding mindfulness for additional pharmacovigilance studies.

Adverse drug reactions pattern in outpatients and inpatients of a tertiary care hospital from northern india

Development of efficient thermoelectric materials requires a designing approach that leads to excellent electronic and phononic transport properties. Using first-principles density functional theory and semiclassical Boltzmann transport theory, we report unprecedented enhancement in electronic transport properties of AIIBIVC2V (group II = Be, Mg, Zn, and Cd; group IV = Si, Ge, and Sn; and group V = P and As) chalcopyrites via isoelectronic substitution. Multiple valleys in conduction bands, present in these compounds, are tuned to converge by substitution of group IV dopant. Additionally, this substitution improves the convergence of valence bands, which is found to have a direct correlation with the tetragonal distortion of these chalcopyrites. Furthermore, several chalcopyrite compounds with heavy elements such as Zn, Cd, and As possess low phonon group velocities and large Gruneisen parameters that lead to low lattice thermal conductivity. Combination of optimized electronic transport properties and lo...

High Thermoelectric Figure of Merit via Tunable Valley Convergence Coupled Low Thermal Conductivity in A II B IV C 2 V Chalcopyrites

A female in her early 50s presented with a complaint of occasional blurring of vision in her left eye, 3 weeks post cataract surgery. Slit-lamp examination revealed a pigmented free-floating iris cyst of approximately 1 cm × 1 cm at 6 o’clock position in the anterior chamber (AC) ([figure 1A, B 

/pdf/free-floating-iris-cyst-in-the-anterior-chamber-glbp3xjr.pdf

Free-floating iris cyst in the anterior chamber

ALTHOUGH simple and hydroxy-oxime derivatives of titanium are knownI'2, the literature records no examples of the title compounds. The observed dependence of molecular association tendency of titanium alkoxides3-7 on the nature of alkoxy groups, prompted us to synthesize halo-oxime derivatives of titanium and mono-, di-, tri-(ethoxy) titanium acetoximates and to examine the influence of the nature of the organic group on association tendencies in these derivatives.

http://nopr.niscair.res.in/bitstream/123456789/50860/1/IJCA%2019A%285%29%20449-451.pdf

Synthesis & Properties of Halo-oximates & Ethoxyacetoximates of Titanium (IV)

Mutations in the PAX6 gene are generally associated with aniridia. We describe a family with Juvenile onset open angle glaucoma (JOAG), where one of the two children had JOAG and the other Juvenile ocular hypertension. Whole exome sequencing was performed for the parents and their two affected children where the proband and her sibling were detected to have a de novo PAX6 gene variant in the absence of aniridia. All previously described gene mutations for glaucoma were looked for in the family. The potential pathogenicity of the identified variants was assessed by determining their frequency in large public exome databases; as well as using the current ACMG guidelines. The same heterozygous variant at NM_000280.6:c.1124 C > A; p. Pro375Gln in the PAX6 gene was detected in the proband and her affected brother. The variant has been described in aniridia patients before and has been shown to cause a weaker DNA binding using functional studies. This report expands the phenotypic spectrum of the PAX6 gene to include Juvenile onset open angle glaucoma. 

Abhishek K. Singh

Papers

Adverse drug reactions pattern in outpatients and inpatients of a tertiary care hospital from northern india

High Thermoelectric Figure of Merit via Tunable Valley Convergence Coupled Low Thermal Conductivity in A II B IV C 2 V Chalcopyrites

Free-floating iris cyst in the anterior chamber

Synthesis & Properties of Halo-oximates & Ethoxyacetoximates of Titanium (IV)

A new association of PAX6 variation with Juvenile onset open angle glaucoma