anal

[ASAP] Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01145




anal

[ASAP] Markov State Model Analysis of Haloperidol Binding to the D<sub>3</sub> Dopamine Receptor

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00013




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‘Blind time’ – current limitations on laser ablation multi-collector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS) for ultra-transient signal isotope ratio analysis and application to individual sub-micron sized uranium particles

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00066C, Paper
Grant Craig, Matthew S. A. Horstwood, Helen J. Reid, Barry L. Sharp
Gaps in acquisition between integration times for MC-ICP-MS can introduce isotope ratio bias with a mixed detector array.
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Laser-induced breakdown spectroscopy (LIBS) spectra interpretation and characterization using parallel factor analysis (PARAFAC): a new procedure for data and spectral interference processing fostering the waste electrical and electronic equipment (WEEE)

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00026D, Paper
Jeyne Pricylla Castro, Edenir Rodrigues Pereira-Filho, Rasmus Bro
For the first time, PARAFAC was used to interpret and characterize LIBS spectra, providing the pure spectra, the signal profile and relative concentration of base and noble elements present on a printed circuit board from the hard disk.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Interaction of nanoparticle properties and X-ray analytical techniques

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00049C, Paper
Rainer Unterumsberger, Philipp Hönicke, Yves Kayser, Beatrix Pollakowski-Herrmann, Saeed Gholhaki, Quanmin Guo, Richard E. Palmer, Burkhard Beckhoff
In this work, Pt–Ti core–shell nanoparticles were characterized using reference-free X-ray fluorescence analysis and used for the investigation of the modification of the X-Ray Standing Wave (XSW) field intensity with increasing NP surface coverage.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Calibration-free quantitative analysis of D/H isotopes with fs-laser filament

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00062K, Paper
Genggeng Li, Huaming Hou, Pengxu Ran, Yunlong Zhao, Zhengye Zhong
The analytical characteristics of D/H isotopes with fs-laser filament are investigated via analyzing a set of D-enriched water samples with D concentrations from 0.5 to 20%. The filament emission spectra...
The content of this RSS Feed (c) The Royal Society of Chemistry




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The matrix effect in TOF-SIMS analysis of two-element inorganic thin films

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/C9JA00428A, Paper
Agnieszka Priebe, Tianle Xie, Gerhard Bürki, Laszlo Pethö, Johann Michler
Investigation of the matrix effect in Zr-based two-element alloys under continuous bombardment of a Ga+ primary ion beam in a study of ionization probability towards exploring the potential and limitations of gas-assisted TOF-SIMS.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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High-resolution atomic structure of rubidium compounds in L X-ray spectral lines: a promising explores for chemical analysis

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00063A, Paper
Harpreet Singh Kainth
The outcomes of X-ray fluorescence (XRF) analysis have been made an immense influence on the chemical profiles in various materials used for industrial and medical purposes. In the beginning of...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Zirconium stable isotope analysis of zircon by MC-ICP-MS: Methods and application to evaluating intra-crystalline zonation in a zircon megacryst

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/C9JA00315K, Paper
Open Access
Hannah G. D. Tompkins, Lisa Joanne Zieman, Mauricio Ibañez-Mejia, François L.H. Tissot
Zirconium (Zr) plays a key role in the development of phases like zircon (ZrSiO4) and baddeleyite (ZrO2) in magmatic systems. These minerals are crucial for the study of geologic time...
The content of this RSS Feed (c) The Royal Society of Chemistry




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An analytical method to characterize the crystal structure of layered double hydroxides: synthesis, characterization, and electrochemical studies of zinc-based LDH nanoplates

J. Mater. Chem. A, 2020, 8,8692-8699
DOI: 10.1039/D0TA01774D, Paper
Jiyong Chung, Jaeyoung Lee, Jae Kyeom Kim, Minseong Kim, Kug-Seung Lee, Seung-Joo Kim, Min Hyung Lee, Taekyung Yu
Due to their unique soft and complex structure, it has been difficult to analyze the exact crystal structure of layered double hydroxides (LDHs), which has been a major obstacle to understanding and improving the catalytic properties of LDHs.
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Total Synthesis of Echinomycin and Its Analogues

Organic Letters
DOI: 10.1021/acs.orglett.0c01268




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Singularities of mappings: the local behaviour of smooth and complex analytic mappings / David Mond, Juan J. Nuño-Ballesteros

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Dewey Library - QA331.7.T3925 2019




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Hayden Library - QA274.2.E23 2019




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Complex analysis: theory and applications / Teodor Bulboacă, Santosh B. Joshi, and Pranay Goswami

Dewey Library - QA377.B85 2019




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From Lambda Calculus to cybersecurity through program analysis: essays dedicated to Chris Hankin on the occasion of his retirement / Alessandra Di Pierro, Pasquale Malacaria, Rajagopal Nagarajan (eds.)

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Vector analysis and cartesian tensors / D.E. Bourne and P.C. Kendall

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Wavelet Analysis on the Sphere: Spheroidal Wavelets / Anouar Ben Mabrouk, Sabrine Arfaoui, Imen Rezgui

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Jordan triple systems in complex and functional analysis / José M. Isidro

Dewey Library - QA252.5.I85 2019




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Relational analysis: guidelines for estimating the high- and low-temperature properties of metals / J. Gilbert Kaufman

Hayden Library - TA460.K38 2011




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Hayden Library - PS3619.O862 A6 2018




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The digital banal: new media and American literature and culture / Zara Dinnen

Hayden Library - PS169.T4 D56 2018




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Data management, analytics and innovation: proceedings of ICDMAI 2019. / Neha Sharma, Amlan Chakrabarti, Valentina Emilia Balas, editors

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Convection-diffusion problems: an introduction to their analysis and numerical solution / Martin Stynes, David Stynes

Hayden Library - QA377.S8785 2018




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Dewey Library - QA300.T427 2019




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Smart healthcare analytics in IoT enabled environment Prasant Kumar Pattnail, Suneeta Mohanty, Satarupa Mohanty, editors

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Analiz mathematik. Alfred Gérard Noel

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The missing analysis in JavaScript "Real" Mixins

I love hacks and unusual patterns! As logical consequence, I loved this post about "Real" Mixins!!!
The only hitch about that post is that I believe there are few points closer to a "gonna sell you my idea" discussion than a non disillusioned one.
Let's start this counter analysis remembering what are actually classes in latest JavaScript standard, so that we can move on explaining what's missing in there.

JavaScript embraces prototypal inheritance

It doesn't matter if ES6 made the previously reserved class keyword usable; at the end of the day we're dealing with a special syntactical shortcut to enrich a generic prototype object.

// class in ES2015
class A {
constructor() {}
method() {}
get accessor() {}
set accessor(value) {}
}

// where are those methods and properties defined?
console.log(
Object.getOwnPropertyNames(A.prototype)
// ["constructor", "method", "accessor"]
);
Accordingly, declaring a generic class consists in bypassing the following procedure:

function A() {}
Object.defineProperties(
A.prototype,
{
// constructor is implicitly defined
method: {
configurable: true,
writable: true,
value: function method() {}
},
accessor: {
configurable: true,
get: function get() {},
set: function set(value) {}
}
}
);
If you don't trust me, trust what a transpiler would do, summarized in the following code:

var A = (function () {
// the constructor
function A() {
_classCallCheck(this, _temporalAssertDefined(A, "A", _temporalUndefined) && A);
}
// the enriched prototype
_createClass(_temporalAssertDefined(A, "A", _temporalUndefined) && A, [{
key: "method",
value: function method() {}
}, {
key: "accessor",
get: function get() {},
set: function set(value) {}
}]);

return _temporalAssertDefined(A, "A", _temporalUndefined) && A;
})();
If there is some public static property in the definition, its assignment to the constructor would be the second bypassed part.

The super case

The extra bit in terms of syntax that makes ES6 special is the special keyword super. Being multiple inheritance not possible in JavaScript, we could think about super as the static reference to the directly extended prototype. In case of the previous B class, which extends A, we can think about super variable like if it was defined as such:

// used within the constructor
let super = (...args) => A.apply(this, arguments);

// used within any other method
super.method = (...args) => A.prototype.method.apply(this, args);

// used as accessor
Object.defineProperty(super, 'accessor', {
get: () => Object.getOwnPropertyDescriptor(
A.prototype, 'accessor'
).get.call(this),
set: (value) => Object.getOwnPropertyDescriptor(
A.prototype, 'accessor'
).set.call(this, value)
});
Now that we have a decent understanding on how inheritance works in JavaScript and what it means to declare a class, let's talk about few misleading points sold as pros or cons in the mentioned article.

Prototypes are always modified anyway!

We've just seen that defining a class technically means enriching its prototype object. This already invalidates somehow Justin point but there's more to consider.
When Justin exposes his idea on why current solutions are bad, he says that:
When using mixin libraries against prototype objects, the prototypes are directly mutated. This is a problem if the prototype is used anywhere else that the mixed-in properties are not wanted.
The way Justin describes this issue is quite misleading because mutating prototypes at runtime is a well known bad practice.
Indeed, I believe every single library he mentioned in that post, and he also forgot mine, is not designed to mutate classes prototypes at runtime ... like: not at all!
Every single mixin proposal that is capable of implementing mixins via classes is indeed designed to define these classes at definition time, not at runtime!
Moreover, whatever solution Justin proposed will not guard any class from being modified at runtime later on!
The same way he's defining his final classes during their definitions, mixins-for-classes oriented libraries have exactly the same goal: you define your class and its mixins during the class definition time!
The fact mixins add properties to a prototype is a completely hidden matter that at class definition time is everything but bad.
Also, no property is modified in place, because mixins are there to enrich, not to modify ... and having a prototype enriched means also that it's easier to spot name clashing and methods or properties conflicts ... but I'll come back to that later ...

super actually should NOT work!

The main bummer about the article is that it starts in a very reasonable way, describing mixins and classes, and also analyzing their role in a program.
The real, and only, difference between a mixin and normal subclass is that a normal subclass has a fixed superclass, while a mixin definition doesn't yet have a superclass.
Justin started right at the very beginning, and then degenerated with all sort of contradictions such:
Then finally he's back to Sanity Village with the following sentence:
super calls can be a little unintuitive for those new to mixins because the superclass isn't known at mixin definition, and sometimes developers expect super to point to the declared superclass (the parameter to the mixin), not the mixin application.
And on top of that, Justin talks about constructors too:
Constructors are a potential source of confusion with mixins. They essentially behave like methods, except that overriden methods tend to have the same signature, while constructors in a inheritance hierarchy often have different signatures.
In case you're not convinced yet how much messed up could be the situation, I'd like to add extra examples to the plate.
Let's consider the word area and its multiple meanings:
  • any particular extent of space or surface
  • a geographical region
  • any section reserved for a specific function
  • extent, range, or scope
  • field of study, or a branch of a field of study
  • a piece of unoccupied ground; an open space
  • the space or site on which a building stands
Now you really have to tell me in case you implement a basic Shape mixin with an area() method what the hack would you expect when invoking super. Moreoever, you should tell me if for every single method you are going to write within a mixin, you are also going to blindly invoke super with arbitrary amount of arguments in there ...

So here my quick advice about calling blindly a super: NO, followed by DON'T and eventually NEVER!

Oversold super ability

No kidding, and I can't stress this enough ... I've never ever in my life wrote a single mixin that was blindly trusting on a super call. That would be eventually an application based on mixins but that's a completely different story.
My feeling is that Justin tried to combine at all cost different concepts, probably mislead by his Dart background, since mentioned as reference, where composition in Dart was indeed classes based and the lang itself exposes native mixins as classes ... but here again we are in JavaScript!

instanceof what?

Another oversold point in Justin's article is that instanceof works.
This one was easy to spot ... I mean, if you create a class at runtime everytime the mixin is invoked, what exactly are you capable of "instanceoffing" and why would that benefit anyone about anything?
I'm writing down his very same examples here that will obviously all fail:

// a new anonymous class is created each time
// who's gonna benefit about the instanceof?
let MyMixin = (superclass) => class extends superclass {
foo() {
console.log('foo from MyMixin');
}
};

// let's try this class
class MyClass extends MyMixin(MyBaseClass) {
/* ... */
}

// Justin says it's cool that instanceof works ...
(new MyClass) instanceof MyMixin; // false
// false ... really, it can't be an instance of
// an arrow function prototype, isn't it?!
Accordingly, and unless I've misunderstood Justin point in which case I apologies in advance, I'm not sure what's the exact point in having instanceof working. Yes, sure the intermediate class is there, but every time the mixin is used it will create a different class so there's absolutely no advantage in having instanceof working there ... am I right?

Improving **Objects** Composition

In his Improving the Syntax paragraph, Justin exposes a very nice API summarized as such:

let mix = (superclass) => new MixinBuilder(superclass);

class MixinBuilder {
constructor(superclass) {
this.superclass = superclass;
}

with(...mixins) {
return mixins.reduce((c, mixin) => mixin(c), this.superclass);
}
}
Well, this was actually the part I've liked the most about his article, it's a very simple and semantic API, and it also doesn't need classes at all to be implemented for any kind of JS object!
How? Well, simply creating objects from objects instead:

let mix = (object) => ({
with: (...mixins) => mixins.reduce(
(c, mixin) => Object.create(
c, Object.getOwnPropertyDescriptors(mixin)
), object)
});
It could surely be improved in order to deal with classes too but you get the idea:

let a = {a: 'a'};
let b = {b: 'b'};
let c = {c: 'c'};
let d = mix(c).with(a, b);
console.log(d);
Since the main trick in Justin proposal is to place an intermediate class in the inheritance chain, defining at runtime each time the same class and its prototype, I've done something different here that doesn't need to create a new class with its own prototype or object each time, while preserving original functionalities without affecting them.

Less RAM to use, a hopefully coming soon native Object.getOwnPropertyDescriptors that should land in ES7 and make extraction faster, and the ability to use the pattern with pretty much everything out there, modern or old.
The gist is here, feel free to reuse.

As Summary ...

Wrapping up this post, with latter proposal we can actually achieve whatever Justin did with his intermediate classes approach but following different goals:
  1. Mixins are added to the prototype chain.
  2. Mixins are applied without modifying existing objects.
  3. Mixins do no magic, and don't define new semantics on top of the core language.
  4. super.foo property access won't hopefully work within mixins but it will with subclasses methods.
  5. super() calls won't hopefully work in mixins constructors because you've no idea what kind of arguments you are going to receive. Subclasses still work as expected.
  6. Mixins are able to extend other mixins.
  7. instanceof has no reason to be even considered in this scenario since we are composing objects.
  8. Mixin definitions do not require library support - they can be written in a universal style and be compatible with non classes based engines too.
  9. bonus: less memory consumption overall, there's no runtime duplication for the same logic each time
I still want to thanks Justin because he made it quite clear that still not everyone fully understands mixins but there's surely a real-world need, or better demand, in the current JavaScript community.

Let's hope the next version of ECMAScript will let all of us compose in a standard way that doesn't include a footgun like super through intermediate classes definition could do.
Thanks for your patience reading through this!